(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide

C15H22N2O — CID 3032799

IUPAC(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyINWLQCZOYSRPNW-ZDUSSCGKSA-N
MW246.35 g/mol
LogP2.73
Rot. Bonds2

About (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide

(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide (PubChem CID 3032799) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
PubChem CID3032799
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C
InChIInChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyINWLQCZOYSRPNW-ZDUSSCGKSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide (CID 3032799) is (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide is Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C.
What is the InChIKey of (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide?
The InChIKey is INWLQCZOYSRPNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide?
(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 3032799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).