N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide

C19H17Cl2N3O4 — CID 126058566

IUPACN-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H17Cl2N3O4/c20-14-3-6-17(16(21)11-14)22-18(25)12-7-9-23(10-8-12)19(26)13-1-4-15(5-2-13)24(27)28/h1-6,11-12H,7-10H2,(H,22,25)
InChIKeyINERPXZCOHZMDP-UHFFFAOYSA-N
MW422.27 g/mol
LogP4.39
Rot. Bonds4

About N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide

N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide (PubChem CID 126058566) has the molecular formula C19H17Cl2N3O4 and a molecular weight of 422.27 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
PubChem CID126058566
Molecular FormulaC19H17Cl2N3O4
Molecular Weight422.27 g/mol
Exact Mass421.06
IUPAC NameN-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H17Cl2N3O4/c20-14-3-6-17(16(21)11-14)22-18(25)12-7-9-23(10-8-12)19(26)13-1-4-15(5-2-13)24(27)28/h1-6,11-12H,7-10H2,(H,22,25)
InChIKeyINERPXZCOHZMDP-UHFFFAOYSA-N
XLogP4.39
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 54.39
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

1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide
CID 17223292
N-[(4-chlorophenyl)methyl]-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 1301555
1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 9411138
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
1-(2,4-dichlorobenzoyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011037
1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9495612
N-(4-chloro-2-methylphenyl)-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113007282
N-(2,4-dichlorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25479669
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286
N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119229
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917
1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 126069700

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide (CID 126058566) is N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide?
The InChIKey is INERPXZCOHZMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O4/c20-14-3-6-17(16(21)11-14)22-18(25)12-7-9-23(10-8-12)19(26)13-1-4-15(5-2-13)24(27)28/h1-6,11-12H,7-10H2,(H,22,25).
What are the key properties of N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide?
N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide has a molecular weight of 422.27 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 126058566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).