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

C16H19N5O3 — CID 18095914

IUPAC1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-4-carboxamide
SMILESCn1cnc([N+](=O)[O-])c1N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H19N5O3/c1-19-11-17-14(21(23)24)16(19)20-9-7-12(8-10-20)15(22)18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,22)
InChIKeyFTAKXOJPWINZOE-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.18
Rot. Bonds4

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

1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-4-carboxamide (PubChem CID 18095914) 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-4-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-4-carboxamide
PubChem CID18095914
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-4-carboxamide
SMILESCn1cnc([N+](=O)[O-])c1N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H19N5O3/c1-19-11-17-14(21(23)24)16(19)20-9-7-12(8-10-20)15(22)18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,22)
InChIKeyFTAKXOJPWINZOE-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-3-carboxamide
CID 18125436
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide
CID 133373091
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 9134208
N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431636
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
1-(2-nitrophenyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 134009397
1-[(2R)-1-amino-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134531
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985
N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 35031896
1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 30795732
1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134673

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-4-carboxamide (CID 18095914) is 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-4-carboxamide is Cn1cnc([N+](=O)[O-])c1N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is FTAKXOJPWINZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-19-11-17-14(21(23)24)16(19)20-9-7-12(8-10-20)15(22)18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,22).
What are the key properties of 1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-4-carboxamide?
1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 18095914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).