1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one

C22H26N2O — CID 4314823

IUPAC1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one
SMILESCc1ccc(N2C(=O)C(CN3CCCCC3)C2c2ccccc2)cc1
InChIInChI=1S/C22H26N2O/c1-17-10-12-19(13-11-17)24-21(18-8-4-2-5-9-18)20(22(24)25)16-23-14-6-3-7-15-23/h2,4-5,8-13,20-21H,3,6-7,14-16H2,1H3
InChIKeyOMOXCNHOHLCAAM-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.19
Rot. Bonds4

About 1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one

1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one (PubChem CID 4314823) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one
PubChem CID4314823
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one
SMILESCc1ccc(N2C(=O)C(CN3CCCCC3)C2c2ccccc2)cc1
InChIInChI=1S/C22H26N2O/c1-17-10-12-19(13-11-17)24-21(18-8-4-2-5-9-18)20(22(24)25)16-23-14-6-3-7-15-23/h2,4-5,8-13,20-21H,3,6-7,14-16H2,1H3
InChIKeyOMOXCNHOHLCAAM-UHFFFAOYSA-N
XLogP4.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one (CID 4314823) is 1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one is Cc1ccc(N2C(=O)C(CN3CCCCC3)C2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one?
The InChIKey is OMOXCNHOHLCAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-17-10-12-19(13-11-17)24-21(18-8-4-2-5-9-18)20(22(24)25)16-23-14-6-3-7-15-23/h2,4-5,8-13,20-21H,3,6-7,14-16H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one?
1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one has a molecular weight of 334.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)azetidin-2-one is sourced from PubChem (CID 4314823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).