N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide

C15H21N3O3 — CID 107068565

IUPACN-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1NCCCC1C
InChIInChI=1S/C15H21N3O3/c1-9-5-4-6-16-14(9)15(19)17-12-8-13(18(20)21)11(3)7-10(12)2/h7-9,14,16H,4-6H2,1-3H3,(H,17,19)
InChIKeyRTAUZKXCGLLKJO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.54
Rot. Bonds3

About N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide

N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide (PubChem CID 107068565) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide
PubChem CID107068565
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1NCCCC1C
InChIInChI=1S/C15H21N3O3/c1-9-5-4-6-16-14(9)15(19)17-12-8-13(18(20)21)11(3)7-10(12)2/h7-9,14,16H,4-6H2,1-3H3,(H,17,19)
InChIKeyRTAUZKXCGLLKJO-UHFFFAOYSA-N
XLogP2.54
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.54
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-methyl-5-nitrophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102780033
3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 107067148
(2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide
CID 104914716
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-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 114257371
3-methyl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide
CID 62340619
2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline
CID 104757489
N-(2,4-dimethyl-5-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 104757751
N-(2,4-dimethyl-5-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 104757731
N-(2,5-dimethyl-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 103145465

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide (CID 107068565) is N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide is Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1NCCCC1C.
What is the InChIKey of N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is RTAUZKXCGLLKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-5-4-6-16-14(9)15(19)17-12-8-13(18(20)21)11(3)7-10(12)2/h7-9,14,16H,4-6H2,1-3H3,(H,17,19).
What are the key properties of N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide?
N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107068565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).