N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide

C13H26N2O — CID 103461667

IUPACN-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide
SMILESCCC(C)(C)CNC(=O)C1CC(C)CCN1
InChIInChI=1S/C13H26N2O/c1-5-13(3,4)9-15-12(16)11-8-10(2)6-7-14-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyLDWVCOXOUUOFNE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds4

About N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide

N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide (PubChem CID 103461667) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide
PubChem CID103461667
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide
SMILESCCC(C)(C)CNC(=O)C1CC(C)CCN1
InChIInChI=1S/C13H26N2O/c1-5-13(3,4)9-15-12(16)11-8-10(2)6-7-14-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyLDWVCOXOUUOFNE-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 114424387
N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
CID 130551928
4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
CID 114422931
4-methyl-N-[(3-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114130671
4-methyl-N-[(4-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114424006
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
4-ethyl-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147963
4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
CID 107475534
4-methyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-2-carboxamide
CID 114423167
3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 113342121

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide (CID 103461667) is N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide is CCC(C)(C)CNC(=O)C1CC(C)CCN1.
What is the InChIKey of N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide?
The InChIKey is LDWVCOXOUUOFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-13(3,4)9-15-12(16)11-8-10(2)6-7-14-11/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide?
N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 103461667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).