1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide

C19H18ClN3O4 — CID 9411138

IUPAC1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClN3O4/c20-15-6-4-14(5-7-15)19(25)22-10-8-13(9-11-22)18(24)21-16-2-1-3-17(12-16)23(26)27/h1-7,12-13H,8-11H2,(H,21,24)
InChIKeyDDOKODUAZXJQRB-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.74
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide (PubChem CID 9411138) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
PubChem CID9411138
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClN3O4/c20-15-6-4-14(5-7-15)19(25)22-10-8-13(9-11-22)18(24)21-16-2-1-3-17(12-16)23(26)27/h1-7,12-13H,8-11H2,(H,21,24)
InChIKeyDDOKODUAZXJQRB-UHFFFAOYSA-N
XLogP3.74
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.74
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-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1315418
1-(4-tert-butylbenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 126057580
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 9293494
N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 126058566
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
N-[(4-chlorophenyl)methyl]-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 1301555
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide
CID 17359573
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide (CID 9411138) is 1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is DDOKODUAZXJQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c20-15-6-4-14(5-7-15)19(25)22-10-8-13(9-11-22)18(24)21-16-2-1-3-17(12-16)23(26)27/h1-7,12-13H,8-11H2,(H,21,24).
What are the key properties of 1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 387.82 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 9411138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).