1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one

C22H26N2O — CID 10382254

IUPAC1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one
SMILESO=C1C(C2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H26N2O/c25-22-21(17-24(22)16-19-9-5-2-6-10-19)20-11-13-23(14-12-20)15-18-7-3-1-4-8-18/h1-10,20-21H,11-17H2
InChIKeyGYWUUUOMXYNWGL-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.56
Rot. Bonds5

About 1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one

1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one (PubChem CID 10382254) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one
PubChem CID10382254
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one
SMILESO=C1C(C2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H26N2O/c25-22-21(17-24(22)16-19-9-5-2-6-10-19)20-11-13-23(14-12-20)15-18-7-3-1-4-8-18/h1-10,20-21H,11-17H2
InChIKeyGYWUUUOMXYNWGL-UHFFFAOYSA-N
XLogP3.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one?
The IUPAC name of 1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one (CID 10382254) is 1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one.
What is the SMILES notation for 1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one?
The canonical SMILES for 1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one is O=C1C(C2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one?
The InChIKey is GYWUUUOMXYNWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22-21(17-24(22)16-19-9-5-2-6-10-19)20-11-13-23(14-12-20)15-18-7-3-1-4-8-18/h1-10,20-21H,11-17H2.
What are the key properties of 1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one?
1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one has a molecular weight of 334.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one is sourced from PubChem (CID 10382254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).