(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one

C15H21NO — CID 171430314

IUPAC(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
SMILESCC(C)[C@H]1CCN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C15H21NO/c1-12(2)14-8-9-16(15(17)10-14)11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m0/s1
InChIKeyNGETUESZTOUZJV-AWEZNQCLSA-N
MW231.34 g/mol
LogP3.08
Rot. Bonds3

About (4S)-1-benzyl-4-propan-2-ylpiperidin-2-one

(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one (PubChem CID 171430314) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4S)-1-benzyl-4-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
PubChem CID171430314
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
SMILESCC(C)[C@H]1CCN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C15H21NO/c1-12(2)14-8-9-16(15(17)10-14)11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m0/s1
InChIKeyNGETUESZTOUZJV-AWEZNQCLSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dibenzylpiperidin-2-one
CID 57246894
1-benzyl-4-(4-ethylphenyl)piperidin-2-one
CID 139936117
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568
1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
1-[(4-fluorophenyl)methyl]-4-(1-nitropropyl)piperidin-2-one
CID 69068115
1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512318
4-benzhydryl-1-butylpiperidin-2-one
CID 21135971
7-benzyl-N-ethyl-6-oxo-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide
CID 74505833
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
(5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one
CID 131860745
4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one
CID 139782002
1-benzyl-4-(prop-2-enylamino)piperidin-2-one
CID 67325743

Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-4-propan-2-ylpiperidin-2-one?
The IUPAC name of (4S)-1-benzyl-4-propan-2-ylpiperidin-2-one (CID 171430314) is (4S)-1-benzyl-4-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (4S)-1-benzyl-4-propan-2-ylpiperidin-2-one?
The canonical SMILES for (4S)-1-benzyl-4-propan-2-ylpiperidin-2-one is CC(C)[C@H]1CCN(Cc2ccccc2)C(=O)C1.
What is the InChIKey of (4S)-1-benzyl-4-propan-2-ylpiperidin-2-one?
The InChIKey is NGETUESZTOUZJV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)14-8-9-16(15(17)10-14)11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-1-benzyl-4-propan-2-ylpiperidin-2-one?
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-4-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 171430314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).