(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid

Name: (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₇N₃O₃ — CID 81120278

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid

SMILESCN(C(=O)N1CCC[C@@H](C(=O)O)C1)c1cccc(C#N)c1

InChIInChI=1S/C15H17N3O3/c1-17(13-6-2-4-11(8-13)9-16)15(21)18-7-3-5-12(10-18)14(19)20/h2,4,6,8,12H,3,5,7,10H2,1H3,(H,19,20)/t12-/m1/s1

InChIKeyPFSXFXINMMYPNW-GFCCVEGCSA-N

MW287.32 g/mol

LogP1.91

Rot. Bonds2

About (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120278) has the molecular formula C₁₅H₁₇N₃O₃ and a molecular weight of 287.32 g/mol. Its IUPAC name is (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name	(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID	81120278
Molecular Formula	C₁₅H₁₇N₃O₃
Molecular Weight	287.32 g/mol
Exact Mass	287.13
IUPAC Name	(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
SMILES	CN(C(=O)N1CCC[C@@H](C(=O)O)C1)c1cccc(C#N)c1
InChI	InChI=1S/C15H17N3O3/c1-17(13-6-2-4-11(8-13)9-16)15(21)18-7-3-5-12(10-18)14(19)20/h2,4,6,8,12H,3,5,7,10H2,1H3,(H,19,20)/t12-/m1/s1
InChIKey	PFSXFXINMMYPNW-GFCCVEGCSA-N
XLogP	1.91
TPSA	84.64 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.32
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?

The IUPAC name of (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid (CID 81120278) is (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid.

What is the SMILES notation for (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?

The canonical SMILES for (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid is CN(C(=O)N1CCC[C@@H](C(=O)O)C1)c1cccc(C#N)c1.

What is the InChIKey of (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?

The InChIKey is PFSXFXINMMYPNW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17(13-6-2-4-11(8-13)9-16)15(21)18-7-3-5-12(10-18)14(19)20/h2,4,6,8,12H,3,5,7,10H2,1H3,(H,19,20)/t12-/m1/s1.

What are the key properties of (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?

(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 81120278 — identifiers, structure, computed properties (public domain)

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