(3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide

C11H22N2O2 — CID 81133856

IUPAC(3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-8(2)10(7-14)13-11(15)9-4-3-5-12-6-9/h8-10,12,14H,3-7H2,1-2H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyYLZRIDCLRSHSMY-NXEZZACHSA-N
MW214.31 g/mol
LogP0.12
Rot. Bonds4

About (3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide

(3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide (PubChem CID 81133856) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide
PubChem CID81133856
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-8(2)10(7-14)13-11(15)9-4-3-5-12-6-9/h8-10,12,14H,3-7H2,1-2H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyYLZRIDCLRSHSMY-NXEZZACHSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopentanecarboxamide
CID 79247248
(3S)-N-(1-ethoxy-3-methylbutan-2-yl)piperidine-3-carboxamide
CID 114113782
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
(3S)-N-(1-cyclopropylethyl)piperidine-3-carboxamide
CID 81123770
N-(2,3-dimethylbutyl)piperidine-3-carboxamide;hydrochloride
CID 119330823
(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide
CID 106344996
N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride
CID 119325328

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide (CID 81133856) is (3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide is CC(C)[C@@H](CO)NC(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide?
The InChIKey is YLZRIDCLRSHSMY-NXEZZACHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10(7-14)13-11(15)9-4-3-5-12-6-9/h8-10,12,14H,3-7H2,1-2H3,(H,13,15)/t9-,10-/m1/s1.
What are the key properties of (3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide?
(3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 81133856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).