1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid

C15H17N3O3 — CID 62269126

IUPAC1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESN#Cc1ccc(CNC(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H17N3O3/c16-8-11-3-5-12(6-4-11)9-17-15(21)18-7-1-2-13(10-18)14(19)20/h3-6,13H,1-2,7,9-10H2,(H,17,21)(H,19,20)
InChIKeyIPLYKTKZCBKAHG-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.56
Rot. Bonds3

About 1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid

1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 62269126) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID62269126
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESN#Cc1ccc(CNC(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H17N3O3/c16-8-11-3-5-12(6-4-11)9-17-15(21)18-7-1-2-13(10-18)14(19)20/h3-6,13H,1-2,7,9-10H2,(H,17,21)(H,19,20)
InChIKeyIPLYKTKZCBKAHG-UHFFFAOYSA-N
XLogP1.56
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(2-cyanophenyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122008904
1-[(4-prop-2-enoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122013875
(2S)-1-[(4-cyanophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 57257451
1-[[4-(1,1-difluoroethyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015342
1-[(3-cyanophenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032285
tert-butyl (3R)-3-[(4-cyanophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 94044438
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
tert-butyl N-[1-[(4-cyanophenyl)methylcarbamoyl]piperidin-3-yl]carbamate
CID 51122186
(3S)-N-[(4-cyanophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 94801015
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
1-[(4-cyanophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377623
N-[(4-cyanophenyl)methyl]-4-(2,2,2-trifluoroacetyl)-1,4-diazepane-1-carboxamide
CID 122567884

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 62269126) is 1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid is N#Cc1ccc(CNC(=O)N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is IPLYKTKZCBKAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-8-11-3-5-12(6-4-11)9-17-15(21)18-7-1-2-13(10-18)14(19)20/h3-6,13H,1-2,7,9-10H2,(H,17,21)(H,19,20).
What are the key properties of 1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 62269126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).