[3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone

C21H24ClN3O — CID 166622855

IUPAC[3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCNC(c2ccccc2)C1)C1(Cc2ccc(Cl)cc2)CNC1
InChIInChI=1S/C21H24ClN3O/c22-18-8-6-16(7-9-18)12-21(14-23-15-21)20(26)25-11-10-24-19(13-25)17-4-2-1-3-5-17/h1-9,19,23-24H,10-15H2
InChIKeyUWHIXXRKCYDSFW-UHFFFAOYSA-N
MW369.90 g/mol
LogP2.65
Rot. Bonds4

About [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone

[3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone (PubChem CID 166622855) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone
PubChem CID166622855
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name[3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCNC(c2ccccc2)C1)C1(Cc2ccc(Cl)cc2)CNC1
InChIInChI=1S/C21H24ClN3O/c22-18-8-6-16(7-9-18)12-21(14-23-15-21)20(26)25-11-10-24-19(13-25)17-4-2-1-3-5-17/h1-9,19,23-24H,10-15H2
InChIKeyUWHIXXRKCYDSFW-UHFFFAOYSA-N
XLogP2.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone (CID 166622855) is [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone is O=C(N1CCNC(c2ccccc2)C1)C1(Cc2ccc(Cl)cc2)CNC1.
What is the InChIKey of [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone?
The InChIKey is UWHIXXRKCYDSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-18-8-6-16(7-9-18)12-21(14-23-15-21)20(26)25-11-10-24-19(13-25)17-4-2-1-3-5-17/h1-9,19,23-24H,10-15H2.
What are the key properties of [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone?
[3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone has a molecular weight of 369.90 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 166622855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).