2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide

C14H19N3O3 — CID 106739038

IUPAC2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCNC(C)C1
InChIInChI=1S/C14H19N3O3/c1-9-3-4-12(17(19)20)8-13(9)16-14(18)11-5-6-15-10(2)7-11/h3-4,8,10-11,15H,5-7H2,1-2H3,(H,16,18)
InChIKeyZYHCWLQMHAZAGQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.23
Rot. Bonds3

About 2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide

2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide (PubChem CID 106739038) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
PubChem CID106739038
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCNC(C)C1
InChIInChI=1S/C14H19N3O3/c1-9-3-4-12(17(19)20)8-13(9)16-14(18)11-5-6-15-10(2)7-11/h3-4,8,10-11,15H,5-7H2,1-2H3,(H,16,18)
InChIKeyZYHCWLQMHAZAGQ-UHFFFAOYSA-N
XLogP2.23
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(2-bromo-4-nitrophenyl)-2-methylpiperidine-4-carboxamide
CID 106739083
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
(2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615925
1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 99817602
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
methyl 4-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616964
2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977998
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 108804425
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817
2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 106739170
trans-(1R,2R)-3-methylidene-1-N,2-N-bis(2-methyl-5-nitrophenyl)cyclopropane-1,2-dicarboxamide
CID 2327600
(4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5286985

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide (CID 106739038) is 2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCNC(C)C1.
What is the InChIKey of 2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is ZYHCWLQMHAZAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-3-4-12(17(19)20)8-13(9)16-14(18)11-5-6-15-10(2)7-11/h3-4,8,10-11,15H,5-7H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide?
2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 106739038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).