1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one

C21H23ClN2O3 — CID 167577563

IUPAC1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one
SMILESCC(=O)N1CCN(c2ccccc2CC(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN2O3/c1-16(25)23-10-12-24(13-11-23)20-8-4-2-6-17(20)14-18(26)15-27-21-9-5-3-7-19(21)22/h2-9H,10-15H2,1H3
InChIKeyFEWVPJWVPBEDPC-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.20
Rot. Bonds6

About 1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one

1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one (PubChem CID 167577563) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one.

Molecular Properties

Compound Name1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one
PubChem CID167577563
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one
SMILESCC(=O)N1CCN(c2ccccc2CC(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN2O3/c1-16(25)23-10-12-24(13-11-23)20-8-4-2-6-17(20)14-18(26)15-27-21-9-5-3-7-19(21)22/h2-9H,10-15H2,1H3
InChIKeyFEWVPJWVPBEDPC-UHFFFAOYSA-N
XLogP3.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide
CID 9321254
1-[4-(2-ethylphenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 113075819
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305
1-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110366169
2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 9254024
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 2204350
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 39712498
2-(4-bromo-2-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 2226885
N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-2-(2-chlorophenoxy)acetamide
CID 3910276

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one?
The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one (CID 167577563) is 1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one.
What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one?
The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one is CC(=O)N1CCN(c2ccccc2CC(=O)COc2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one?
The InChIKey is FEWVPJWVPBEDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-16(25)23-10-12-24(13-11-23)20-8-4-2-6-17(20)14-18(26)15-27-21-9-5-3-7-19(21)22/h2-9H,10-15H2,1H3.
What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one?
1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one has a molecular weight of 386.88 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one is sourced from PubChem (CID 167577563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).