1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione

C24H34N2O3 — CID 55689728

IUPAC1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C24H34N2O3/c1-18(2)17-19-7-9-20(10-8-19)22(27)11-12-23(28)25-13-15-26(16-14-25)24(29)21-5-3-4-6-21/h7-10,18,21H,3-6,11-17H2,1-2H3
InChIKeyBSWZHWCLOMNPQO-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.71
Rot. Bonds7

About 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione (PubChem CID 55689728) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione.

Molecular Properties

Compound Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
PubChem CID55689728
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C24H34N2O3/c1-18(2)17-19-7-9-20(10-8-19)22(27)11-12-23(28)25-13-15-26(16-14-25)24(29)21-5-3-4-6-21/h7-10,18,21H,3-6,11-17H2,1-2H3
InChIKeyBSWZHWCLOMNPQO-UHFFFAOYSA-N
XLogP3.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione with MolForge

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Related Compounds

1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
CID 55689729
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
CID 55689710
cyclobutyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110809297
1-(3-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
CID 110890167
cyclopropyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110806443
1-(1,4-diazepan-1-yl)-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione;hydrochloride
CID 119416709
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 38391869
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
CID 119637490
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
CID 78873380
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione;hydrochloride
CID 119633025
1-[4-(2-methylpropyl)phenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 52587966
1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55690688

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione?
The IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione (CID 55689728) is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione.
What is the SMILES notation for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione?
The canonical SMILES for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione is CC(C)Cc1ccc(C(=O)CCC(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione?
The InChIKey is BSWZHWCLOMNPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-18(2)17-19-7-9-20(10-8-19)22(27)11-12-23(28)25-13-15-26(16-14-25)24(29)21-5-3-4-6-21/h7-10,18,21H,3-6,11-17H2,1-2H3.
What are the key properties of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione?
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione has a molecular weight of 398.55 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione is sourced from PubChem (CID 55689728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).