4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile

C23H25N3O2 — CID 32772147

IUPAC4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile
SMILESCCc1ccc(C(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-2-18-7-10-21(11-8-18)23(28)26-15-13-25(14-16-26)22(27)12-9-19-3-5-20(17-24)6-4-19/h3-8,10-11H,2,9,12-16H2,1H3
InChIKeyVZUWDBIWWOWYDB-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.04
Rot. Bonds5

About 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile

4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile (PubChem CID 32772147) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile
PubChem CID32772147
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile
SMILESCCc1ccc(C(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-2-18-7-10-21(11-8-18)23(28)26-15-13-25(14-16-26)22(27)12-9-19-3-5-20(17-24)6-4-19/h3-8,10-11H,2,9,12-16H2,1H3
InChIKeyVZUWDBIWWOWYDB-UHFFFAOYSA-N
XLogP3.04
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798892
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
4-[[4-(4-ethylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 51331648
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]benzonitrile
CID 31946879
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985
4-[3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzonitrile
CID 41388584
8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
CID 10287329
3-[[4-(4-ethylbenzoyl)piperazin-1-yl]methyl]-4-fluorobenzonitrile
CID 35137953
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411
4-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzonitrile
CID 41388591
4-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzonitrile
CID 31948057

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile?
The IUPAC name of 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile (CID 32772147) is 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile.
What is the SMILES notation for 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile?
The canonical SMILES for 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile is CCc1ccc(C(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1.
What is the InChIKey of 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile?
The InChIKey is VZUWDBIWWOWYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-18-7-10-21(11-8-18)23(28)26-15-13-25(14-16-26)22(27)12-9-19-3-5-20(17-24)6-4-19/h3-8,10-11H,2,9,12-16H2,1H3.
What are the key properties of 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile?
4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile has a molecular weight of 375.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile is sourced from PubChem (CID 32772147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).