1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide

C22H27N3O3 — CID 17499311

IUPAC1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide
SMILESCCCC(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-2-8-19(17-9-4-3-5-10-17)23-22(26)18-13-15-24(16-14-18)20-11-6-7-12-21(20)25(27)28/h3-7,9-12,18-19H,2,8,13-16H2,1H3,(H,23,26)
InChIKeyGNKOFCZRWVSKGZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.47
Rot. Bonds7

About 1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide

1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide (PubChem CID 17499311) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide
PubChem CID17499311
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide
SMILESCCCC(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-2-8-19(17-9-4-3-5-10-17)23-22(26)18-13-15-24(16-14-18)20-11-6-7-12-21(20)25(27)28/h3-7,9-12,18-19H,2,8,13-16H2,1H3,(H,23,26)
InChIKeyGNKOFCZRWVSKGZ-UHFFFAOYSA-N
XLogP4.47
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
N-(6-methylheptan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 43000012
methyl (3S)-3-(4-chlorophenyl)-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]propanoate
CID 27700758
4-(1-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672295
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide
CID 95203312
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 25359789
methyl (2S)-3-methyl-2-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]butanoate
CID 60618921
N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide
CID 31977352
tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 43017509
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 51323771
1-(2-nitrophenyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 46600224
1-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 51326573

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide (CID 17499311) is 1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide is CCCC(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1.
What is the InChIKey of 1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide?
The InChIKey is GNKOFCZRWVSKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-8-19(17-9-4-3-5-10-17)23-22(26)18-13-15-24(16-14-18)20-11-6-7-12-21(20)25(27)28/h3-7,9-12,18-19H,2,8,13-16H2,1H3,(H,23,26).
What are the key properties of 1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide?
1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 17499311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).