N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide

C15H22N2O — CID 95968051

IUPACN-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C)CC2)cc1C
InChIInChI=1S/C15H22N2O/c1-11-4-5-14(10-12(11)2)16-15(18)13-6-8-17(3)9-7-13/h4-5,10,13H,6-9H2,1-3H3,(H,16,18)
InChIKeyLHFQDAYSUCQIOD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.58
Rot. Bonds2

About N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide

N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide (PubChem CID 95968051) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
PubChem CID95968051
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C)CC2)cc1C
InChIInChI=1S/C15H22N2O/c1-11-4-5-14(10-12(11)2)16-15(18)13-6-8-17(3)9-7-13/h4-5,10,13H,6-9H2,1-3H3,(H,16,18)
InChIKeyLHFQDAYSUCQIOD-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide (CID 95968051) is N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide?
The InChIKey is LHFQDAYSUCQIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-4-5-14(10-12(11)2)16-15(18)13-6-8-17(3)9-7-13/h4-5,10,13H,6-9H2,1-3H3,(H,16,18).
What are the key properties of N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide?
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 95968051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).