1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide

C16H19N5O3 — CID 18125436

IUPAC1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide
SMILESCn1cnc([N+](=O)[O-])c1N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H19N5O3/c1-19-11-17-14(21(23)24)16(19)20-9-5-6-12(10-20)15(22)18-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,18,22)
InChIKeyNORMOJYOZKSRQW-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.18
Rot. Bonds4

About 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide

1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide (PubChem CID 18125436) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide
PubChem CID18125436
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide
SMILESCn1cnc([N+](=O)[O-])c1N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H19N5O3/c1-19-11-17-14(21(23)24)16(19)20-9-5-6-12(10-20)15(22)18-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,18,22)
InChIKeyNORMOJYOZKSRQW-UHFFFAOYSA-N
XLogP2.18
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-4-carboxamide
CID 18095914
tert-butyl N-[2-[[1-(3-methyl-5-nitroimidazol-4-yl)piperidine-3-carbonyl]amino]ethyl]carbamate
CID 48934210
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3R)-N-(4-nitrophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866078
1-(8-nitroisoquinolin-5-yl)-N-phenylpiperidine-3-carboxamide
CID 42926429
(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide
CID 51928820
N-(4-nitrophenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103992
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
CID 53107443
(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
(3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide
CID 96514701
(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927781

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide (CID 18125436) is 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide is Cn1cnc([N+](=O)[O-])c1N1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is NORMOJYOZKSRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-19-11-17-14(21(23)24)16(19)20-9-5-6-12(10-20)15(22)18-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,18,22).
What are the key properties of 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide?
1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 18125436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).