3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid

C13H15N5O3 — CID 174200714

IUPAC3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid
SMILES[N-]=[N+]=Nc1ccc(NC(=O)C2CCCN(C(=O)O)C2)cc1
InChIInChI=1S/C13H15N5O3/c14-17-16-11-5-3-10(4-6-11)15-12(19)9-2-1-7-18(8-9)13(20)21/h3-6,9H,1-2,7-8H2,(H,15,19)(H,20,21)
InChIKeyQAYSHPOPKFUSNK-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.96
Rot. Bonds3

About 3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid

3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid (PubChem CID 174200714) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid
PubChem CID174200714
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid
SMILES[N-]=[N+]=Nc1ccc(NC(=O)C2CCCN(C(=O)O)C2)cc1
InChIInChI=1S/C13H15N5O3/c14-17-16-11-5-3-10(4-6-11)15-12(19)9-2-1-7-18(8-9)13(20)21/h3-6,9H,1-2,7-8H2,(H,15,19)(H,20,21)
InChIKeyQAYSHPOPKFUSNK-UHFFFAOYSA-N
XLogP2.96
TPSA118.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161128
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
CID 94161545
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
CID 51928183

Frequently Asked Questions

What is the IUPAC name of 3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid (CID 174200714) is 3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid is [N-]=[N+]=Nc1ccc(NC(=O)C2CCCN(C(=O)O)C2)cc1.
What is the InChIKey of 3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid?
The InChIKey is QAYSHPOPKFUSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c14-17-16-11-5-3-10(4-6-11)15-12(19)9-2-1-7-18(8-9)13(20)21/h3-6,9H,1-2,7-8H2,(H,15,19)(H,20,21).
What are the key properties of 3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid?
3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid has a molecular weight of 289.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-azidophenyl)carbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174200714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).