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

C15H21N3O3 — CID 104757822

IUPACN-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-carboxamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1(C)CCCNC1
InChIInChI=1S/C15H21N3O3/c1-10-7-11(2)13(18(20)21)8-12(10)17-14(19)15(3)5-4-6-16-9-15/h7-8,16H,4-6,9H2,1-3H3,(H,17,19)
InChIKeySHFCQRIWLLZRDF-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.54
Rot. Bonds3

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

N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-carboxamide (PubChem CID 104757822) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-carboxamide
PubChem CID104757822
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-carboxamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1(C)CCCNC1
InChIInChI=1S/C15H21N3O3/c1-10-7-11(2)13(18(20)21)8-12(10)17-14(19)15(3)5-4-6-16-9-15/h7-8,16H,4-6,9H2,1-3H3,(H,17,19)
InChIKeySHFCQRIWLLZRDF-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-nitrophenyl)-3-methylpiperidine-3-carboxamide
CID 63130791
N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
CID 104727176
N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 104668086
N-(5-chloro-2-nitrophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63139685
methyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate
CID 63130618
4-amino-N-(2,4-dimethyl-5-nitrophenyl)oxane-4-carboxamide
CID 104757718
3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 63130968
3-amino-N-(2,4-dimethyl-5-nitrophenyl)oxolane-3-carboxamide
CID 104757785
3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63132622
3-methyl-N-(3-methyl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 63132333
4,5-difluoro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63132812
N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130077

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-carboxamide (CID 104757822) is N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-carboxamide is Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1(C)CCCNC1.
What is the InChIKey of N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is SHFCQRIWLLZRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-7-11(2)13(18(20)21)8-12(10)17-14(19)15(3)5-4-6-16-9-15/h7-8,16H,4-6,9H2,1-3H3,(H,17,19).
What are the key properties of N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-carboxamide?
N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-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-3-carboxamide is sourced from PubChem (CID 104757822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).