3-(1-amino-3-methylbutan-2-yl)piperidin-2-one

C10H20N2O — CID 83876452

IUPAC3-(1-amino-3-methylbutan-2-yl)piperidin-2-one
SMILESCC(C)C(CN)C1CCCNC1=O
InChIInChI=1S/C10H20N2O/c1-7(2)9(6-11)8-4-3-5-12-10(8)13/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyZUFYAIXIJHNJCJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.74
Rot. Bonds3

About 3-(1-amino-3-methylbutan-2-yl)piperidin-2-one

3-(1-amino-3-methylbutan-2-yl)piperidin-2-one (PubChem CID 83876452) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(1-amino-3-methylbutan-2-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(1-amino-3-methylbutan-2-yl)piperidin-2-one
PubChem CID83876452
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(1-amino-3-methylbutan-2-yl)piperidin-2-one
SMILESCC(C)C(CN)C1CCCNC1=O
InChIInChI=1S/C10H20N2O/c1-7(2)9(6-11)8-4-3-5-12-10(8)13/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyZUFYAIXIJHNJCJ-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminoethyl)azepan-2-one
CID 2837704
3-pentan-2-ylpiperidin-2-one
CID 107889853
3-(1-aminoethyl)azocan-2-one
CID 23959350
(3R)-3-[(1R)-1-aminopropyl]azepan-2-one
CID 7047455
[(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium
CID 7047454
3-but-3-en-2-ylazepan-2-one
CID 104679572
3-propan-2-ylpyrrolidin-2-one;(3S)-3-propan-2-ylpyrrolidin-2-one;(3R)-3-propan-2-ylpyrrolidin-2-one
CID 158680886
(3R)-3-[amino(cyclopropyl)methyl]azepan-2-one
CID 68800299
3-(pentan-2-ylamino)piperidin-2-one
CID 62092466
3-(2-hydroxy-3-methylbutyl)azepan-2-one
CID 130495542
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
3-(1-cyclopropylethylamino)piperidin-2-one
CID 62092290

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-3-methylbutan-2-yl)piperidin-2-one?
The IUPAC name of 3-(1-amino-3-methylbutan-2-yl)piperidin-2-one (CID 83876452) is 3-(1-amino-3-methylbutan-2-yl)piperidin-2-one.
What is the SMILES notation for 3-(1-amino-3-methylbutan-2-yl)piperidin-2-one?
The canonical SMILES for 3-(1-amino-3-methylbutan-2-yl)piperidin-2-one is CC(C)C(CN)C1CCCNC1=O.
What is the InChIKey of 3-(1-amino-3-methylbutan-2-yl)piperidin-2-one?
The InChIKey is ZUFYAIXIJHNJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)9(6-11)8-4-3-5-12-10(8)13/h7-9H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 3-(1-amino-3-methylbutan-2-yl)piperidin-2-one?
3-(1-amino-3-methylbutan-2-yl)piperidin-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-3-methylbutan-2-yl)piperidin-2-one is sourced from PubChem (CID 83876452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).