N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide

C19H21N3O4 — CID 17152327

IUPACN-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O4/c1-26-18-8-7-16(22(24)25)13-17(18)20-19(23)14-9-11-21(12-10-14)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,20,23)
InChIKeyOKNNTPRVFKNKJP-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.46
Rot. Bonds5

About N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide

N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide (PubChem CID 17152327) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
PubChem CID17152327
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O4/c1-26-18-8-7-16(22(24)25)13-17(18)20-19(23)14-9-11-21(12-10-14)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,20,23)
InChIKeyOKNNTPRVFKNKJP-UHFFFAOYSA-N
XLogP3.46
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.46
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'}

Analyze N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152311
N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108532358
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688749
N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152391
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 51167725
1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide
CID 17152713
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide
CID 30364580
(1R,2S,3R,4S)-3-[(2-methoxy-5-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11869900
(1R,2R,3S,4R)-3-[(2-methoxy-5-nitrophenyl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 124715609
(1R,2S,3S,4R)-3-[(2-methoxy-5-nitrophenyl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 7499661

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide (CID 17152327) is N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide?
The InChIKey is OKNNTPRVFKNKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-26-18-8-7-16(22(24)25)13-17(18)20-19(23)14-9-11-21(12-10-14)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,20,23).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide?
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17152327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).