(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide

C11H21N3O2 — CID 106344996

IUPAC(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide
SMILESCC(C)C(NC(=O)[C@@H]1CCCNC1)C(N)=O
InChIInChI=1S/C11H21N3O2/c1-7(2)9(10(12)15)14-11(16)8-4-3-5-13-6-8/h7-9,13H,3-6H2,1-2H3,(H2,12,15)(H,14,16)/t8-,9?/m1/s1
InChIKeyVFZCEYRNJSWORO-VEDVMXKPSA-N
MW227.31 g/mol
LogP-0.39
Rot. Bonds4

About (3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide

(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide (PubChem CID 106344996) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide
PubChem CID106344996
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide
SMILESCC(C)C(NC(=O)[C@@H]1CCCNC1)C(N)=O
InChIInChI=1S/C11H21N3O2/c1-7(2)9(10(12)15)14-11(16)8-4-3-5-13-6-8/h7-9,13H,3-6H2,1-2H3,(H2,12,15)(H,14,16)/t8-,9?/m1/s1
InChIKeyVFZCEYRNJSWORO-VEDVMXKPSA-N
XLogP-0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769
(2S)-3-methyl-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 63006443
(3S)-N-(1-cyclopropylethyl)piperidine-3-carboxamide
CID 81123770
(3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide
CID 81133856
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide
CID 106345005
N-(2,3-dimethylbutyl)piperidine-3-carboxamide;hydrochloride
CID 119330823
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide (CID 106344996) is (3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide is CC(C)C(NC(=O)[C@@H]1CCCNC1)C(N)=O.
What is the InChIKey of (3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide?
The InChIKey is VFZCEYRNJSWORO-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7(2)9(10(12)15)14-11(16)8-4-3-5-13-6-8/h7-9,13H,3-6H2,1-2H3,(H2,12,15)(H,14,16)/t8-,9?/m1/s1.
What are the key properties of (3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide?
(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 106344996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).