[3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone

C22H24Cl2N2O2 — CID 11441515

IUPAC[3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1
InChIInChI=1S/C22H24Cl2N2O2/c23-17-10-8-16(9-11-17)21(19-6-2-3-7-20(19)24)28-18-14-26(15-18)22(27)25-12-4-1-5-13-25/h2-3,6-11,18,21H,1,4-5,12-15H2
InChIKeyKOGILAIJMSNWDT-UHFFFAOYSA-N
MW419.35 g/mol
LogP5.39
Rot. Bonds4

About [3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone

[3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone (PubChem CID 11441515) has the molecular formula C22H24Cl2N2O2 and a molecular weight of 419.35 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
PubChem CID11441515
Molecular FormulaC22H24Cl2N2O2
Molecular Weight419.35 g/mol
Exact Mass418.12
IUPAC Name[3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1
InChIInChI=1S/C22H24Cl2N2O2/c23-17-10-8-16(9-11-17)21(19-6-2-3-7-20(19)24)28-18-14-26(15-18)22(27)25-12-4-1-5-13-25/h2-3,6-11,18,21H,1,4-5,12-15H2
InChIKeyKOGILAIJMSNWDT-UHFFFAOYSA-N
XLogP5.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.35
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone (CID 11441515) is [3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1.
What is the InChIKey of [3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is KOGILAIJMSNWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2/c23-17-10-8-16(9-11-17)21(19-6-2-3-7-20(19)24)28-18-14-26(15-18)22(27)25-12-4-1-5-13-25/h2-3,6-11,18,21H,1,4-5,12-15H2.
What are the key properties of [3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone?
[3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 419.35 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 11441515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).