3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one

C24H31ClN4O — CID 155565209

IUPAC3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H31ClN4O/c25-22-7-4-8-23(19-22)28-15-17-29(18-16-28)24(30)9-10-26-11-13-27(14-12-26)20-21-5-2-1-3-6-21/h1-8,19H,9-18,20H2
InChIKeyIQCQCLUIJHVBSW-UHFFFAOYSA-N
MW426.99 g/mol
LogP3.20
Rot. Bonds6

About 3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one

3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 155565209) has the molecular formula C24H31ClN4O and a molecular weight of 426.99 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
PubChem CID155565209
Molecular FormulaC24H31ClN4O
Molecular Weight426.99 g/mol
Exact Mass426.22
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H31ClN4O/c25-22-7-4-8-23(19-22)28-15-17-29(18-16-28)24(30)9-10-26-11-13-27(14-12-26)20-21-5-2-1-3-6-21/h1-8,19H,9-18,20H2
InChIKeyIQCQCLUIJHVBSW-UHFFFAOYSA-N
XLogP3.20
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017492
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982286
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
CID 20991836
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 20969074
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-phenothiazin-10-ylpropan-1-one
CID 3618760
3-(benzenesulfonyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 2424550
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one (CID 155565209) is 3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one is O=C(CCN1CCN(Cc2ccccc2)CC1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is IQCQCLUIJHVBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O/c25-22-7-4-8-23(19-22)28-15-17-29(18-16-28)24(30)9-10-26-11-13-27(14-12-26)20-21-5-2-1-3-6-21/h1-8,19H,9-18,20H2.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one?
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 426.99 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 3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 155565209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).