methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one

C10H21NO — CID 158640398

IUPACmethane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one
SMILESC.CC(C)[C@H]1CCCN(C)C1=O
InChIInChI=1S/C9H17NO.CH4/c1-7(2)8-5-4-6-10(3)9(8)11;/h7-8H,4-6H2,1-3H3;1H4/t8-;/m1./s1
InChIKeyIAHPQZAYBHXWLH-DDWIOCJRSA-N
MW171.28 g/mol
LogP2.15
Rot. Bonds1

About methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one

methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one (PubChem CID 158640398) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Namemethane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one
PubChem CID158640398
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namemethane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one
SMILESC.CC(C)[C@H]1CCCN(C)C1=O
InChIInChI=1S/C9H17NO.CH4/c1-7(2)8-5-4-6-10(3)9(8)11;/h7-8H,4-6H2,1-3H3;1H4/t8-;/m1./s1
InChIKeyIAHPQZAYBHXWLH-DDWIOCJRSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-propan-2-ylpiperidin-2-one
CID 58763606
(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
1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
(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
(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 methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one?
The IUPAC name of methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one (CID 158640398) is methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one.
What is the SMILES notation for methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one?
The canonical SMILES for methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one is C.CC(C)[C@H]1CCCN(C)C1=O.
What is the InChIKey of methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one?
The InChIKey is IAHPQZAYBHXWLH-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H17NO.CH4/c1-7(2)8-5-4-6-10(3)9(8)11;/h7-8H,4-6H2,1-3H3;1H4/t8-;/m1./s1.
What are the key properties of methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one?
methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one has a molecular weight of 171.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 158640398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).