4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one

C18H17ClN2O3 — CID 70710000

IUPAC4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C18H17ClN2O3/c19-14-6-8-16(9-7-14)24-13-18(23)20-10-11-21(17(22)12-20)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyPEZNHYSKFJEPPT-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.59
Rot. Bonds4

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

4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one (PubChem CID 70710000) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
PubChem CID70710000
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C18H17ClN2O3/c19-14-6-8-16(9-7-14)24-13-18(23)20-10-11-21(17(22)12-20)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyPEZNHYSKFJEPPT-UHFFFAOYSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70780139
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 171154693
4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one
CID 126855630
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108547297
4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one
CID 110708995
4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione
CID 66085312
2-(4-chlorophenoxy)-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 27799783
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-4-phenoxybutan-1-one
CID 108546992
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one (CID 70710000) is 4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one is O=C(COc1ccc(Cl)cc1)N1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of 4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one?
The InChIKey is PEZNHYSKFJEPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-14-6-8-16(9-7-14)24-13-18(23)20-10-11-21(17(22)12-20)15-4-2-1-3-5-15/h1-9H,10-13H2.
What are the key properties of 4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one?
4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one has a molecular weight of 344.80 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 70710000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).