1-methyl-3-propan-2-ylpiperidin-2-one

C9H17NO — CID 58763606

IUPAC1-methyl-3-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCCN(C)C1=O
InChIInChI=1S/C9H17NO/c1-7(2)8-5-4-6-10(3)9(8)11/h7-8H,4-6H2,1-3H3
InChIKeyOFIUJNKZSRYNMI-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds1

About 1-methyl-3-propan-2-ylpiperidin-2-one

1-methyl-3-propan-2-ylpiperidin-2-one (PubChem CID 58763606) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylpiperidin-2-one
PubChem CID58763606
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-methyl-3-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCCN(C)C1=O
InChIInChI=1S/C9H17NO/c1-7(2)8-5-4-6-10(3)9(8)11/h7-8H,4-6H2,1-3H3
InChIKeyOFIUJNKZSRYNMI-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one
CID 158640398
(3S)-3-[(1S)-1-hydroxy-2,2-bis(methylsulfanyl)ethyl]-1-methylpiperidin-2-one
CID 92982578
3-[1-hydroxy-2,2-bis(methylsulfanyl)ethyl]-1-methylpiperidin-2-one
CID 10933910
(3S)-3-amino-1-methylpiperidin-2-one
CID 67416126
(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one
CID 135182975
3-methyl-7-propan-2-yl-3-azabicyclo[4.1.0]heptan-2-one
CID 164726704
1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
(3S)-3-amino-1-methylazepan-2-one
CID 14003483
3-hydroxy-1-(3-methylbutyl)piperidin-2-one
CID 117014091
(8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 59215769
3-amino-1-methylazepan-2-one;hydrochloride
CID 67416250
1-butyl-3-propan-2-ylpyrrolidin-2-one
CID 139951375

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylpiperidin-2-one?
The IUPAC name of 1-methyl-3-propan-2-ylpiperidin-2-one (CID 58763606) is 1-methyl-3-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 1-methyl-3-propan-2-ylpiperidin-2-one?
The canonical SMILES for 1-methyl-3-propan-2-ylpiperidin-2-one is CC(C)C1CCCN(C)C1=O.
What is the InChIKey of 1-methyl-3-propan-2-ylpiperidin-2-one?
The InChIKey is OFIUJNKZSRYNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)8-5-4-6-10(3)9(8)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylpiperidin-2-one?
1-methyl-3-propan-2-ylpiperidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 58763606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).