4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one

C18H17ClN2O2 — CID 110708429

IUPAC4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
SMILESO=C(Cc1cccc(Cl)c1)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C18H17ClN2O2/c19-15-6-4-5-14(11-15)12-17(22)20-9-10-21(18(23)13-20)16-7-2-1-3-8-16/h1-8,11H,9-10,12-13H2
InChIKeyYPRCBYGBYSFYAP-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.76
Rot. Bonds3

About 4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one

4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one (PubChem CID 110708429) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
PubChem CID110708429
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
SMILESO=C(Cc1cccc(Cl)c1)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C18H17ClN2O2/c19-15-6-4-5-14(11-15)12-17(22)20-9-10-21(18(23)13-20)16-7-2-1-3-8-16/h1-8,11H,9-10,12-13H2
InChIKeyYPRCBYGBYSFYAP-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
CID 110720798
4-[1-[(3-chlorophenyl)methyl]triazole-4-carbonyl]-1-phenylpiperazin-2-one
CID 25453569
4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one
CID 70707147
4-benzyl-1-[2-(3-chlorophenyl)acetyl]-1,4-diazepan-5-one
CID 42366762
4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
CID 70710000
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
CID 126851696
4-(3-chlorobenzoyl)-1-phenyl-1,4-diazepan-2-one
CID 110873861
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
2-(3-chlorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 110712676
1-(3-chlorophenyl)-4-[2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetyl]piperazin-2-one
CID 96582404

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one (CID 110708429) is 4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one is O=C(Cc1cccc(Cl)c1)N1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of 4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one?
The InChIKey is YPRCBYGBYSFYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-15-6-4-5-14(11-15)12-17(22)20-9-10-21(18(23)13-20)16-7-2-1-3-8-16/h1-8,11H,9-10,12-13H2.
What are the key properties of 4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one?
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one has a molecular weight of 328.80 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 110708429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).