N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide

C13H26N2O — CID 64599745

IUPACN-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide
SMILESCC(C)C(C)CNC(=O)C1NCCCC1C
InChIInChI=1S/C13H26N2O/c1-9(2)11(4)8-15-13(16)12-10(3)6-5-7-14-12/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyGDHXOAMORSMCCH-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.78
Rot. Bonds4

About N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide

N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide (PubChem CID 64599745) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide
PubChem CID64599745
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide
SMILESCC(C)C(C)CNC(=O)C1NCCCC1C
InChIInChI=1S/C13H26N2O/c1-9(2)11(4)8-15-13(16)12-10(3)6-5-7-14-12/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyGDHXOAMORSMCCH-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-hydroxypropyl]-3-methylpiperidine-2-carboxamide
CID 107221242
N-(2,3-dihydroxypropyl)-3-methylpiperidine-2-carboxamide
CID 107068312
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
N-(2-amino-2-oxoethyl)-3-methylpiperidine-2-carboxamide
CID 62338928
N-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxamide
CID 62338768
2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107068302
N-(2,3-dimethylbutyl)piperidine-3-carboxamide;hydrochloride
CID 119330823
N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide
CID 107068571
2-hydroxy-4-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 107835996
3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide
CID 79551044
N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide
CID 65049268
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 107068216

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide (CID 64599745) is N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide is CC(C)C(C)CNC(=O)C1NCCCC1C.
What is the InChIKey of N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is GDHXOAMORSMCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)11(4)8-15-13(16)12-10(3)6-5-7-14-12/h9-12,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide?
N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 64599745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).