1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone

C20H21ClN2O2 — CID 110358796

IUPAC1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(CN1CCN(C(=O)Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c21-18-8-6-17(7-9-18)19(24)15-22-10-12-23(13-11-22)20(25)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyKVDKVURFLBQZDU-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.91
Rot. Bonds5

About 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone

1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 110358796) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone
PubChem CID110358796
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(CN1CCN(C(=O)Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c21-18-8-6-17(7-9-18)19(24)15-22-10-12-23(13-11-22)20(25)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyKVDKVURFLBQZDU-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110358802
1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 110358782
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110358779
2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]acetic acid
CID 62825320
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 110610868
2-(4-chlorophenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074065
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 171154693
1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-2-phenylethanone
CID 59140034
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110358781
4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 110358821

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone (CID 110358796) is 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone is O=C(CN1CCN(C(=O)Cc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is KVDKVURFLBQZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-18-8-6-17(7-9-18)19(24)15-22-10-12-23(13-11-22)20(25)14-16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone?
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 356.85 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110358796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).