1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone

C20H20ClNO2 — CID 128963585

IUPAC1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H20ClNO2/c1-14(23)15-5-7-19(8-6-15)22-11-9-16(10-12-22)20(24)17-3-2-4-18(21)13-17/h2-8,13,16H,9-12H2,1H3
InChIKeyLWMBRHVWMVSCBD-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.64
Rot. Bonds4

About 1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone

1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone (PubChem CID 128963585) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone
PubChem CID128963585
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H20ClNO2/c1-14(23)15-5-7-19(8-6-15)22-11-9-16(10-12-22)20(24)17-3-2-4-18(21)13-17/h2-8,13,16H,9-12H2,1H3
InChIKeyLWMBRHVWMVSCBD-UHFFFAOYSA-N
XLogP4.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone (CID 128963585) is 1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCC(C(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone?
The InChIKey is LWMBRHVWMVSCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-14(23)15-5-7-19(8-6-15)22-11-9-16(10-12-22)20(24)17-3-2-4-18(21)13-17/h2-8,13,16H,9-12H2,1H3.
What are the key properties of 1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone?
1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone has a molecular weight of 341.84 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-chlorobenzoyl)piperidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 128963585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).