(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide

C12H24N2O — CID 104828245

IUPAC(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
SMILESCC(NC(=O)[C@H]1CCCNC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(12(2,3)4)14-11(15)10-6-5-7-13-8-10/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9?,10-/m0/s1
InChIKeyMAEJMDZWJBOBBZ-AXDSSHIGSA-N
MW212.34 g/mol
LogP1.54
Rot. Bonds2

About (3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide

(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 104828245) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
PubChem CID104828245
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
SMILESCC(NC(=O)[C@H]1CCCNC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(12(2,3)4)14-11(15)10-6-5-7-13-8-10/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9?,10-/m0/s1
InChIKeyMAEJMDZWJBOBBZ-AXDSSHIGSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride
CID 119325328
N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119313097
(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-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
N-(2,3-dimethylbutyl)piperidine-3-carboxamide;hydrochloride
CID 119330823

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide (CID 104828245) is (3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide is CC(NC(=O)[C@H]1CCCNC1)C(C)(C)C.
What is the InChIKey of (3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide?
The InChIKey is MAEJMDZWJBOBBZ-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(12(2,3)4)14-11(15)10-6-5-7-13-8-10/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9?,10-/m0/s1.
What are the key properties of (3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide?
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 104828245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).