(3S)-3-methyl-1-propan-2-ylpiperidin-2-one

C9H17NO — CID 129101270

IUPAC(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCC[C@H](C)C1=O
InChIInChI=1S/C9H17NO/c1-7(2)10-6-4-5-8(3)9(10)11/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyCHBISVSTIUASCK-QMMMGPOBSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds1

About (3S)-3-methyl-1-propan-2-ylpiperidin-2-one

(3S)-3-methyl-1-propan-2-ylpiperidin-2-one (PubChem CID 129101270) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3S)-3-methyl-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
PubChem CID129101270
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCC[C@H](C)C1=O
InChIInChI=1S/C9H17NO/c1-7(2)10-6-4-5-8(3)9(10)11/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyCHBISVSTIUASCK-QMMMGPOBSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-propan-2-ylpiperidin-2-one?
The IUPAC name of (3S)-3-methyl-1-propan-2-ylpiperidin-2-one (CID 129101270) is (3S)-3-methyl-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (3S)-3-methyl-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for (3S)-3-methyl-1-propan-2-ylpiperidin-2-one is CC(C)N1CCC[C@H](C)C1=O.
What is the InChIKey of (3S)-3-methyl-1-propan-2-ylpiperidin-2-one?
The InChIKey is CHBISVSTIUASCK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)10-6-4-5-8(3)9(10)11/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (3S)-3-methyl-1-propan-2-ylpiperidin-2-one?
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 129101270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).