N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride

C12H25ClN2O — CID 119299426

IUPACN-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCN(CC(C)(C)C)C(=O)C1CCCNC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-12(2,3)9-14(4)11(15)10-6-5-7-13-8-10;/h10,13H,5-9H2,1-4H3;1H
InChIKeyVTAMOHIUJWSRLY-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.91
Rot. Bonds2

About N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride

N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119299426) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119299426
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC NameN-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCN(CC(C)(C)C)C(=O)C1CCCNC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-12(2,3)9-14(4)11(15)10-6-5-7-13-8-10;/h10,13H,5-9H2,1-4H3;1H
InChIKeyVTAMOHIUJWSRLY-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-N-methylpyrrolidine-3-carboxamide
CID 63005495
N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide
CID 115159936
(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81124814
N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 50988968
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
N-methyl-N-[2-(oxan-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119331855
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333
(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
CID 81123765
(3R)-N-methyl-N-[(2-methylcyclopropyl)methyl]piperidine-3-carboxamide
CID 81139885
N-(2,2-dimethylpropyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119299416
N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 115734509
(3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 81134967

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride (CID 119299426) is N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride is CN(CC(C)(C)C)C(=O)C1CCCNC1.Cl.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is VTAMOHIUJWSRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-12(2,3)9-14(4)11(15)10-6-5-7-13-8-10;/h10,13H,5-9H2,1-4H3;1H.
What are the key properties of N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119299426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).