3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide

C14H19N3O3 — CID 107067148

IUPAC3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2NCCCC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-9-5-6-11(8-12(9)17(19)20)16-14(18)13-10(2)4-3-7-15-13/h5-6,8,10,13,15H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyTVFCCDNKHMOFFQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.23
Rot. Bonds3

About 3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide

3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide (PubChem CID 107067148) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide
PubChem CID107067148
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2NCCCC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-9-5-6-11(8-12(9)17(19)20)16-14(18)13-10(2)4-3-7-15-13/h5-6,8,10,13,15H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyTVFCCDNKHMOFFQ-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

3-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 102777058
3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 102779250
N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide
CID 107068565
2-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
CID 79382754
N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 114262076
N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566
N-(2-bromo-4-methyl-5-nitrophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102780033
2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 8890661
3-methyl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide
CID 62340619
N-(4-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 55060316
3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide
CID 107067422
N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 114257371

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide (CID 107067148) is 3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide is Cc1ccc(NC(=O)C2NCCCC2C)cc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide?
The InChIKey is TVFCCDNKHMOFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-5-6-11(8-12(9)17(19)20)16-14(18)13-10(2)4-3-7-15-13/h5-6,8,10,13,15H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide?
3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-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 3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 107067148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).