(3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide

C15H21N3O4 — CID 99580240

IUPAC(3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide
SMILESCO[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1
InChIInChI=1S/C15H21N3O4/c1-10-7-11(2)14(18(20)21)8-13(10)16-15(19)17-6-4-5-12(9-17)22-3/h7-8,12H,4-6,9H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyINCMXBABFSGAJC-GFCCVEGCSA-N
MW307.35 g/mol
LogP2.85
Rot. Bonds3

About (3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide

(3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide (PubChem CID 99580240) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide
PubChem CID99580240
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name(3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide
SMILESCO[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1
InChIInChI=1S/C15H21N3O4/c1-10-7-11(2)14(18(20)21)8-13(10)16-15(19)17-6-4-5-12(9-17)22-3/h7-8,12H,4-6,9H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyINCMXBABFSGAJC-GFCCVEGCSA-N
XLogP2.85
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.85
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'}

Analyze (3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-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-(4-fluoro-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118763399
3-(diethylamino)-N-(2,4-dimethyl-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 86794429
(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide
CID 125176909
(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 124606170
N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118788092
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572270
N-(3-methoxycyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 106872073
2-(cyclopentylamino)-N-(2,5-dimethyl-4-nitrophenyl)acetamide
CID 103145357
N-(2,4-dimethyl-5-nitrophenyl)-1-methylazepan-4-amine
CID 104757350
2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102963077
4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate
CID 95198757

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide (CID 99580240) is (3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide is CO[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1.
What is the InChIKey of (3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide?
The InChIKey is INCMXBABFSGAJC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-7-11(2)14(18(20)21)8-13(10)16-15(19)17-6-4-5-12(9-17)22-3/h7-8,12H,4-6,9H2,1-3H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide?
(3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 99580240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).