1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone

C22H33N5O — CID 148987737

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone
SMILES[H]/N=C/c1ccc(N2CCN(CC(=O)N3CCN(C4CCCC4)CC3)CC2)cc1
InChIInChI=1S/C22H33N5O/c23-17-19-5-7-21(8-6-19)25-11-9-24(10-12-25)18-22(28)27-15-13-26(14-16-27)20-3-1-2-4-20/h5-8,17,20,23H,1-4,9-16,18H2/b23-17+
InChIKeyPXCAGIHQMAIRPD-HAVVHWLPSA-N
MW383.54 g/mol
LogP1.89
Rot. Bonds5

About 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone (PubChem CID 148987737) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone
PubChem CID148987737
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone
SMILES[H]/N=C/c1ccc(N2CCN(CC(=O)N3CCN(C4CCCC4)CC3)CC2)cc1
InChIInChI=1S/C22H33N5O/c23-17-19-5-7-21(8-6-19)25-11-9-24(10-12-25)18-22(28)27-15-13-26(14-16-27)20-3-1-2-4-20/h5-8,17,20,23H,1-4,9-16,18H2/b23-17+
InChIKeyPXCAGIHQMAIRPD-HAVVHWLPSA-N
XLogP1.89
TPSA53.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-(methyliminomethyl)phenyl]piperazin-1-yl]ethanone
CID 143404331
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
2-[4-[4-(azepane-1-carbonyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442566
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-pyrimidin-5-ylphenyl)piperazin-1-yl]ethanone
CID 57443163
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone
CID 58826279
2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 134483239
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442446
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanone
CID 57442804
2-(azepan-1-yl)-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 42518071
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone (CID 148987737) is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone is [H]/N=C/c1ccc(N2CCN(CC(=O)N3CCN(C4CCCC4)CC3)CC2)cc1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone?
The InChIKey is PXCAGIHQMAIRPD-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H33N5O/c23-17-19-5-7-21(8-6-19)25-11-9-24(10-12-25)18-22(28)27-15-13-26(14-16-27)20-3-1-2-4-20/h5-8,17,20,23H,1-4,9-16,18H2/b23-17+.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone has a molecular weight of 383.54 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 148987737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).