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

C19H19ClN2O2 — CID 8866783

IUPAC1-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H19ClN2O2/c1-14(23)15-5-7-18(8-6-15)21-9-11-22(12-10-21)19(24)16-3-2-4-17(20)13-16/h2-8,13H,9-12H2,1H3
InChIKeyRCHDWCNBGCYJNK-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.51
Rot. Bonds3

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

1-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 8866783) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]ethanone
PubChem CID8866783
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H19ClN2O2/c1-14(23)15-5-7-18(8-6-15)21-9-11-22(12-10-21)19(24)16-3-2-4-17(20)13-16/h2-8,13H,9-12H2,1H3
InChIKeyRCHDWCNBGCYJNK-UHFFFAOYSA-N
XLogP3.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.51
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)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]ethanone (CID 8866783) is 1-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is RCHDWCNBGCYJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-14(23)15-5-7-18(8-6-15)21-9-11-22(12-10-21)19(24)16-3-2-4-17(20)13-16/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 342.83 g/mol, XLogP of 3.51, 3 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)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 8866783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).