2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide

C20H23N3O3 — CID 47053984

IUPAC2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1
InChIInChI=1S/C20H23N3O3/c1-14-5-3-4-6-18(14)20(24)21-16-9-11-22(12-10-16)17-7-8-19(23(25)26)15(2)13-17/h3-8,13,16H,9-12H2,1-2H3,(H,21,24)
InChIKeyYKGPCZXFCQMJCD-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.61
Rot. Bonds4

About 2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide

2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide (PubChem CID 47053984) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide
PubChem CID47053984
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1
InChIInChI=1S/C20H23N3O3/c1-14-5-3-4-6-18(14)20(24)21-16-9-11-22(12-10-16)17-7-8-19(23(25)26)15(2)13-17/h3-8,13,16H,9-12H2,1-2H3,(H,21,24)
InChIKeyYKGPCZXFCQMJCD-UHFFFAOYSA-N
XLogP3.61
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide 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-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-2-methylbenzamide
CID 47053983
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide
CID 136577669
4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide
CID 86830350
1-(3-methyl-4-nitrophenyl)-4-phenylpiperazine
CID 165348222
[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]methanol
CID 47281098
1-(3-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 22320998
N-[1-(2-chloro-5-nitrobenzoyl)piperidin-4-yl]-2-methylbenzamide
CID 55688878
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
methyl 1-(3-methyl-4-nitrophenyl)pyrrolidine-3-carboxylate
CID 112731130
ethyl 5-(4-acetamidopiperidin-1-yl)-2-nitrobenzoate
CID 133360562
N-(1-benzylpiperidin-4-yl)-3-methyl-4-nitrobenzamide
CID 26691349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide (CID 47053984) is 2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1.
What is the InChIKey of 2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide?
The InChIKey is YKGPCZXFCQMJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-5-3-4-6-18(14)20(24)21-16-9-11-22(12-10-16)17-7-8-19(23(25)26)15(2)13-17/h3-8,13,16H,9-12H2,1-2H3,(H,21,24).
What are the key properties of 2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide?
2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 47053984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).