4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one

C19H18Cl2N2O3 — CID 157423766

IUPAC4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one
SMILESO=C(Cc1cc(Cl)ccc1CO)N1CCN(c2ccccc2Cl)C(=O)C1
InChIInChI=1S/C19H18Cl2N2O3/c20-15-6-5-13(12-24)14(9-15)10-18(25)22-7-8-23(19(26)11-22)17-4-2-1-3-16(17)21/h1-6,9,24H,7-8,10-12H2
InChIKeyBPSIWLQRGDDXMP-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.90
Rot. Bonds4

About 4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one

4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one (PubChem CID 157423766) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one
PubChem CID157423766
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one
SMILESO=C(Cc1cc(Cl)ccc1CO)N1CCN(c2ccccc2Cl)C(=O)C1
InChIInChI=1S/C19H18Cl2N2O3/c20-15-6-5-13(12-24)14(9-15)10-18(25)22-7-8-23(19(26)11-22)17-4-2-1-3-16(17)21/h1-6,9,24H,7-8,10-12H2
InChIKeyBPSIWLQRGDDXMP-UHFFFAOYSA-N
XLogP2.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
tert-butyl 4-(2-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 67112342
1-(2-chlorophenyl)-4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]piperazin-2-one
CID 70740982
4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70774679
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 2437970
4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70746172
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
1-(2-chlorophenyl)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 70774838
4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
CID 70710000
1-(2-chlorophenyl)-4-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]piperazin-2-one
CID 97127412
[(2R)-1-[4-(2-chlorophenyl)-3-oxopiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 96582137
4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
CID 110720798

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one?
The IUPAC name of 4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one (CID 157423766) is 4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one?
The canonical SMILES for 4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one is O=C(Cc1cc(Cl)ccc1CO)N1CCN(c2ccccc2Cl)C(=O)C1.
What is the InChIKey of 4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one?
The InChIKey is BPSIWLQRGDDXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-15-6-5-13(12-24)14(9-15)10-18(25)22-7-8-23(19(26)11-22)17-4-2-1-3-16(17)21/h1-6,9,24H,7-8,10-12H2.
What are the key properties of 4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one?
4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one has a molecular weight of 393.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-chloro-2-(hydroxymethyl)phenyl]acetyl]-1-(2-chlorophenyl)piperazin-2-one is sourced from PubChem (CID 157423766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).