1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide

C20H20ClN3O5 — CID 17223356

IUPAC1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H20ClN3O5/c1-29-14-6-7-17(18(12-14)24(27)28)22-19(25)13-8-10-23(11-9-13)20(26)15-4-2-3-5-16(15)21/h2-7,12-13H,8-11H2,1H3,(H,22,25)
InChIKeyMJHJRGOKDUMJKA-UHFFFAOYSA-N
MW417.85 g/mol
LogP3.75
Rot. Bonds5

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

1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 17223356) has the molecular formula C20H20ClN3O5 and a molecular weight of 417.85 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
PubChem CID17223356
Molecular FormulaC20H20ClN3O5
Molecular Weight417.85 g/mol
Exact Mass417.11
IUPAC Name1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H20ClN3O5/c1-29-14-6-7-17(18(12-14)24(27)28)22-19(25)13-8-10-23(11-9-13)20(26)15-4-2-3-5-16(15)21/h2-7,12-13H,8-11H2,1H3,(H,22,25)
InChIKeyMJHJRGOKDUMJKA-UHFFFAOYSA-N
XLogP3.75
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 53.75
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-(furan-2-carbonyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 9374722
1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 1072822
1-(3-fluorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17223630
1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17152952
1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide
CID 17223292
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
1-(2-chlorobenzoyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17223510
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide (CID 17223356) is 1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is MJHJRGOKDUMJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5/c1-29-14-6-7-17(18(12-14)24(27)28)22-19(25)13-8-10-23(11-9-13)20(26)15-4-2-3-5-16(15)21/h2-7,12-13H,8-11H2,1H3,(H,22,25).
What are the key properties of 1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 417.85 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17223356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).