1,4-dibenzylpiperidin-2-one

C19H21NO — CID 57246894

IUPAC1,4-dibenzylpiperidin-2-one
SMILESO=C1CC(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H21NO/c21-19-14-18(13-16-7-3-1-4-8-16)11-12-20(19)15-17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyVLBRVOQLLVLBSZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.67
Rot. Bonds4

About 1,4-dibenzylpiperidin-2-one

1,4-dibenzylpiperidin-2-one (PubChem CID 57246894) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1,4-dibenzylpiperidin-2-one.

Molecular Properties

Compound Name1,4-dibenzylpiperidin-2-one
PubChem CID57246894
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1,4-dibenzylpiperidin-2-one
SMILESO=C1CC(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H21NO/c21-19-14-18(13-16-7-3-1-4-8-16)11-12-20(19)15-17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyVLBRVOQLLVLBSZ-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
2-[(4S)-2-oxo-1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]ethanethioic S-acid
CID 87950783
4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one
CID 83645468
1-benzyl-4-(4-ethylphenyl)piperidin-2-one
CID 139936117
1-benzyl-4-(prop-2-enylamino)piperidin-2-one
CID 67325743
1-benzyl-4-(4-benzyl-5-oxo-1,2,4-triazol-1-yl)piperidin-2-one
CID 172552727
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
1-[(4-phenoxyphenyl)methyl]-4-sulfanylpiperidin-2-one
CID 22292869
(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
CID 10490446
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196

Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzylpiperidin-2-one?
The IUPAC name of 1,4-dibenzylpiperidin-2-one (CID 57246894) is 1,4-dibenzylpiperidin-2-one.
What is the SMILES notation for 1,4-dibenzylpiperidin-2-one?
The canonical SMILES for 1,4-dibenzylpiperidin-2-one is O=C1CC(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 1,4-dibenzylpiperidin-2-one?
The InChIKey is VLBRVOQLLVLBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19-14-18(13-16-7-3-1-4-8-16)11-12-20(19)15-17-9-5-2-6-10-17/h1-10,18H,11-15H2.
What are the key properties of 1,4-dibenzylpiperidin-2-one?
1,4-dibenzylpiperidin-2-one has a molecular weight of 279.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzylpiperidin-2-one is sourced from PubChem (CID 57246894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).