(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide

C11H22N2O — CID 81123470

IUPAC(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCC(C)C(C)NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C11H22N2O/c1-8(2)9(3)13-11(14)10-5-4-6-12-7-10/h8-10,12H,4-7H2,1-3H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyJKAKCDBHXJYFPL-AXDSSHIGSA-N
MW198.31 g/mol
LogP1.15
Rot. Bonds3

About (3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide

(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 81123470) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
PubChem CID81123470
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCC(C)C(C)NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C11H22N2O/c1-8(2)9(3)13-11(14)10-5-4-6-12-7-10/h8-10,12H,4-7H2,1-3H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyJKAKCDBHXJYFPL-AXDSSHIGSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769
(3S)-N-(1-cyclopropylethyl)piperidine-3-carboxamide
CID 81123770
(3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide
CID 81133856
(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide
CID 106344996
N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119262989
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711
N-(2,3-dimethylbutyl)piperidine-3-carboxamide;hydrochloride
CID 119330823

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide (CID 81123470) is (3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide is CC(C)C(C)NC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide?
The InChIKey is JKAKCDBHXJYFPL-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)9(3)13-11(14)10-5-4-6-12-7-10/h8-10,12H,4-7H2,1-3H3,(H,13,14)/t9?,10-/m0/s1.
What are the key properties of (3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide?
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 81123470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).