1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide

C19H20ClN3O4 — CID 17152952

IUPAC1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H20ClN3O4/c1-27-16-5-6-17(18(12-16)23(25)26)21-19(24)13-7-9-22(10-8-13)15-4-2-3-14(20)11-15/h2-6,11-13H,7-10H2,1H3,(H,21,24)
InChIKeyYHHKZZPIGVDUHN-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.11
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide

1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 17152952) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
PubChem CID17152952
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H20ClN3O4/c1-27-16-5-6-17(18(12-16)23(25)26)21-19(24)13-7-9-22(10-8-13)15-4-2-3-14(20)11-15/h2-6,11-13H,7-10H2,1H3,(H,21,24)
InChIKeyYHHKZZPIGVDUHN-UHFFFAOYSA-N
XLogP4.11
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.11
H-Bond Donors ≤ 51
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-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 108804459
1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17223356
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
N-(4-chloro-2,5-dimethoxyphenyl)-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153018
1-(3-fluorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17223630
1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17153136
1-(furan-2-carbonyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 9374722
(3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004873
1-(4-chlorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 16925178
(1R,2R,4S,5R)-N-(4-methoxy-2-nitrophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98186911
N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152311
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide (CID 17152952) is 1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is YHHKZZPIGVDUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-27-16-5-6-17(18(12-16)23(25)26)21-19(24)13-7-9-22(10-8-13)15-4-2-3-14(20)11-15/h2-6,11-13H,7-10H2,1H3,(H,21,24).
What are the key properties of 1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide?
1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).