4-azido-N-phenylpiperidine-1-carboxamide

C12H15N5O — CID 150312406

IUPAC4-azido-N-phenylpiperidine-1-carboxamide
SMILES[N-]=[N+]=NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C12H15N5O/c13-16-15-11-6-8-17(9-7-11)12(18)14-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,18)
InChIKeyGLXDMFZRQUUXNO-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.99
Rot. Bonds2

About 4-azido-N-phenylpiperidine-1-carboxamide

4-azido-N-phenylpiperidine-1-carboxamide (PubChem CID 150312406) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-azido-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-azido-N-phenylpiperidine-1-carboxamide
PubChem CID150312406
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-azido-N-phenylpiperidine-1-carboxamide
SMILES[N-]=[N+]=NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C12H15N5O/c13-16-15-11-6-8-17(9-7-11)12(18)14-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,18)
InChIKeyGLXDMFZRQUUXNO-UHFFFAOYSA-N
XLogP2.99
TPSA81.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-azido-N-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide
CID 172905193
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
4-(N'-hydroxycarbamimidoyl)-N-phenylpiperidine-1-carboxamide
CID 77038685
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
3-ethyl-4-hydroxy-N-phenylpiperidine-1-carboxamide
CID 114510061

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-azido-N-phenylpiperidine-1-carboxamide (CID 150312406) is 4-azido-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-azido-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-azido-N-phenylpiperidine-1-carboxamide is [N-]=[N+]=NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-azido-N-phenylpiperidine-1-carboxamide?
The InChIKey is GLXDMFZRQUUXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-16-15-11-6-8-17(9-7-11)12(18)14-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,18).
What are the key properties of 4-azido-N-phenylpiperidine-1-carboxamide?
4-azido-N-phenylpiperidine-1-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 150312406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).