N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride

C16H33ClN2O — CID 119325328

IUPACN-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)CCC(NC(=O)C1CCCNC1)C(C)(C)C.Cl
InChIInChI=1S/C16H32N2O.ClH/c1-12(2)8-9-14(16(3,4)5)18-15(19)13-7-6-10-17-11-13;/h12-14,17H,6-11H2,1-5H3,(H,18,19);1H
InChIKeyWOZLUYKSQUVMMW-UHFFFAOYSA-N
MW304.91 g/mol
LogP3.37
Rot. Bonds5

About N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride

N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119325328) has the molecular formula C16H33ClN2O and a molecular weight of 304.91 g/mol. Its IUPAC name is N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID119325328
Molecular FormulaC16H33ClN2O
Molecular Weight304.91 g/mol
Exact Mass304.23
IUPAC NameN-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)CCC(NC(=O)C1CCCNC1)C(C)(C)C.Cl
InChIInChI=1S/C16H32N2O.ClH/c1-12(2)8-9-14(16(3,4)5)18-15(19)13-7-6-10-17-11-13;/h12-14,17H,6-11H2,1-5H3,(H,18,19);1H
InChIKeyWOZLUYKSQUVMMW-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.91
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119262989
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
(3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide
CID 81133856
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
(3R)-N-[1-(dimethylamino)propan-2-yl]piperidine-3-carboxamide
CID 82945148
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769

Frequently Asked Questions

What is the IUPAC name of N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride (CID 119325328) is N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride is CC(C)CCC(NC(=O)C1CCCNC1)C(C)(C)C.Cl.
What is the InChIKey of N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is WOZLUYKSQUVMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O.ClH/c1-12(2)8-9-14(16(3,4)5)18-15(19)13-7-6-10-17-11-13;/h12-14,17H,6-11H2,1-5H3,(H,18,19);1H.
What are the key properties of N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride?
N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 304.91 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119325328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).