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CAS 1185297-53-3 (4-CARBAMOYL-PIPERIDIN-1-YL)-ACETIC ACIDHYDROCHLORIDE molecular structure lightbox
CAS RN: 1185297-53-3

(4-CARBAMOYL-PIPERIDIN-1-YL)-ACETIC ACIDHYDROCHLORIDE

  • Product code: SSC-018357
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1185297-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1185297-53-3 / 2-(4-carbamoylpiperidin-1-yl)acetic acid;hydrochloride

2-(4-carbamoylpiperidin-1-yl)acetic acid hydrochloride | MFCD06800393 | (4-Carbamoyl-piperidin-1-yl)-acetic acidhydrochloride

Standard CAS: 1185297-53-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185297-53-3
Multi CAS
No
Molecular Formula
C8H15ClN2O3
Molecular Weight
222.670000
Exact Mass
222.077120
SMILES
C1CN(CCC1C(=O)N)CC(=O)O.Cl
InChI
InChI=1S/C8H14N2O3.ClH/c9-8(13)6-1-3-10(4-2-6)5-7(11)12;/h6H,1-5H2,(H2,9,13)(H,11,12);1H
InChIKey
ADIGZBBVJSQUEW-UHFFFAOYSA-N
Synonyms
2-(4-carbamoylpiperidin-1-yl)acetic acid hydrochloride MFCD06800393 (4-Carbamoyl-piperidin-1-yl)-acetic acidhydrochloride 2-(4-carbamoylpiperidin-1-yl)acetic acid;hydrochloride (4-CARBAMOYL-PIPERIDIN-1-YL)-ACETIC ACID HYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.24
TPSA
83.63

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.27
XLogP3
-0.31
Consensus LogP
-0.3
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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