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

C13H26N2O — CID 115159936

IUPACN-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide
SMILESCN(CCC(C)(C)C)C(=O)C1CCCNC1
InChIInChI=1S/C13H26N2O/c1-13(2,3)7-9-15(4)12(16)11-6-5-8-14-10-11/h11,14H,5-10H2,1-4H3
InChIKeyXZWDBWKUDWTNPQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds3

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

N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide (PubChem CID 115159936) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide
PubChem CID115159936
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide
SMILESCN(CCC(C)(C)C)C(=O)C1CCCNC1
InChIInChI=1S/C13H26N2O/c1-13(2,3)7-9-15(4)12(16)11-6-5-8-14-10-11/h11,14H,5-10H2,1-4H3
InChIKeyXZWDBWKUDWTNPQ-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119299426
N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 50988968
(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
CID 81123765
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333
N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 115734509
(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81124814
(3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 81134967
N-methyl-N-[2-(oxan-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119331855
N-methyl-N-(2-propan-2-yloxyethyl)piperidine-3-carboxamide
CID 81055489
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
N-(2,2-dimethylpropyl)-N-methylpyrrolidine-3-carboxamide
CID 63005495
N-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119340577

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide (CID 115159936) is N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide is CN(CCC(C)(C)C)C(=O)C1CCCNC1.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is XZWDBWKUDWTNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)7-9-15(4)12(16)11-6-5-8-14-10-11/h11,14H,5-10H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide?
N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 115159936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).