4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one

C11H22N2O — CID 131176722

IUPAC4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one
SMILESCC(C)C(C)NC1C(=O)NCCC1C
InChIInChI=1S/C11H22N2O/c1-7(2)9(4)13-10-8(3)5-6-12-11(10)14/h7-10,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyBZFIGJGBSDMJIM-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.15
Rot. Bonds3

About 4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one

4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one (PubChem CID 131176722) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one
PubChem CID131176722
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one
SMILESCC(C)C(C)NC1C(=O)NCCC1C
InChIInChI=1S/C11H22N2O/c1-7(2)9(4)13-10-8(3)5-6-12-11(10)14/h7-10,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyBZFIGJGBSDMJIM-UHFFFAOYSA-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

4-methyl-3-[(3-methylcyclobutyl)amino]piperidin-2-one
CID 130666250
3-(2-methoxy-2-methylhydrazinyl)-4-methylpiperidin-2-one
CID 130667086
3-hydroxy-4-(propan-2-ylamino)piperidin-2-one
CID 169259074
tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate
CID 95654557
3-propan-2-ylpyrrolidin-2-one;(3S)-3-propan-2-ylpyrrolidin-2-one;(3R)-3-propan-2-ylpyrrolidin-2-one
CID 158680886
(3R)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one
CID 170365434
1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(2S)-2-(3-methylphenyl)propyl]urea
CID 129402956
3-(1-hydroxyethyl)pyrrolidin-2-one
CID 559138
4-(3-methylbutan-2-ylamino)cyclohexan-1-one
CID 127000025
1-(3-bromo-5-methylphenyl)-3-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]urea
CID 124627053
(3S,4R)-3-[(2-chloro-6-fluorophenyl)methylamino]-4-methylpiperidin-2-one
CID 124626401
1-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 129402976

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one?
The IUPAC name of 4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one (CID 131176722) is 4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one?
The canonical SMILES for 4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one is CC(C)C(C)NC1C(=O)NCCC1C.
What is the InChIKey of 4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one?
The InChIKey is BZFIGJGBSDMJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7(2)9(4)13-10-8(3)5-6-12-11(10)14/h7-10,13H,5-6H2,1-4H3,(H,12,14).
What are the key properties of 4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one?
4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one 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 4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 131176722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).