N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

C25H29FN4O4 — CID 55722368

IUPACN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C25H29FN4O4/c26-20-11-10-19(16-21(20)28-25(32)17-6-2-1-3-7-17)27-24(31)18-12-14-29(15-13-18)22-8-4-5-9-23(22)30(33)34/h4-5,8-11,16-18H,1-3,6-7,12-15H2,(H,27,31)(H,28,32)
InChIKeyGOXLOZUVRXUYIW-UHFFFAOYSA-N
MW468.53 g/mol
LogP5.11
Rot. Bonds6

About N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 55722368) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID55722368
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC NameN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C25H29FN4O4/c26-20-11-10-19(16-21(20)28-25(32)17-6-2-1-3-7-17)27-24(31)18-12-14-29(15-13-18)22-8-4-5-9-23(22)30(33)34/h4-5,8-11,16-18H,1-3,6-7,12-15H2,(H,27,31)(H,28,32)
InChIKeyGOXLOZUVRXUYIW-UHFFFAOYSA-N
XLogP5.11
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358381
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985
N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431636
N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide
CID 4114738
N-(1,3-benzodioxol-5-yl)-1-[1-(2-nitrophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 41283279
N-(2,5-difluorophenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26681545
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 39280111
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide
CID 55367657
methyl 4-methyl-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate
CID 9160892
1-(2-nitrophenyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 134009397

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 55722368) is N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is GOXLOZUVRXUYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4/c26-20-11-10-19(16-21(20)28-25(32)17-6-2-1-3-7-17)27-24(31)18-12-14-29(15-13-18)22-8-4-5-9-23(22)30(33)34/h4-5,8-11,16-18H,1-3,6-7,12-15H2,(H,27,31)(H,28,32).
What are the key properties of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55722368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).