1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione

C21H23ClN2O2 — CID 20969074

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C21H23ClN2O2/c22-18-8-4-9-19(16-18)23-12-14-24(15-13-23)21(26)11-5-10-20(25)17-6-2-1-3-7-17/h1-4,6-9,16H,5,10-15H2
InChIKeyQSPVFRDBYAKQLS-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.04
Rot. Bonds6

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione

1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione (PubChem CID 20969074) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
PubChem CID20969074
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C21H23ClN2O2/c22-18-8-4-9-19(16-18)23-12-14-24(15-13-23)21(26)11-5-10-20(25)17-6-2-1-3-7-17/h1-4,6-9,16H,5,10-15H2
InChIKeyQSPVFRDBYAKQLS-UHFFFAOYSA-N
XLogP4.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 4167422
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-[4-[(dimethylamino)methyl]phenyl]butane-1,4-dione
CID 121448930
3-(benzenesulfonyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 2424550
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155565209
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide
CID 113097807
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2-methoxyphenyl)butane-1,4-dione
CID 121448945
3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017492
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione (CID 20969074) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione is O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione?
The InChIKey is QSPVFRDBYAKQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-18-8-4-9-19(16-18)23-12-14-24(15-13-23)21(26)11-5-10-20(25)17-6-2-1-3-7-17/h1-4,6-9,16H,5,10-15H2.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione?
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione has a molecular weight of 370.88 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione is sourced from PubChem (CID 20969074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).