1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione

C19H28N2O2S — CID 134020740

IUPAC1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
SMILESCc1cc(C(=O)CCC(=O)N2CCN(C3CCCC3)CC2)c(C)s1
InChIInChI=1S/C19H28N2O2S/c1-14-13-17(15(2)24-14)18(22)7-8-19(23)21-11-9-20(10-12-21)16-5-3-4-6-16/h13,16H,3-12H2,1-2H3
InChIKeyUPOOVDKOAKCQEZ-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.41
Rot. Bonds5

About 1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione

1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione (PubChem CID 134020740) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
PubChem CID134020740
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
SMILESCc1cc(C(=O)CCC(=O)N2CCN(C3CCCC3)CC2)c(C)s1
InChIInChI=1S/C19H28N2O2S/c1-14-13-17(15(2)24-14)18(22)7-8-19(23)21-11-9-20(10-12-21)16-5-3-4-6-16/h13,16H,3-12H2,1-2H3
InChIKeyUPOOVDKOAKCQEZ-UHFFFAOYSA-N
XLogP3.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione with MolForge

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Related Compounds

1-(azepan-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
CID 78782624
1-(2,5-dimethylthiophen-3-yl)-4-(4-hydroxypiperidin-1-yl)butane-1,4-dione
CID 60590572
2-[1-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]piperidin-4-yl]acetic acid
CID 120684696
1-(2,5-dimethylthiophen-3-yl)-4-[4-(ethylaminomethyl)piperidin-1-yl]butane-1,4-dione;hydrochloride
CID 119645963
3-[1-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]piperidin-3-yl]propanoic acid
CID 120689666
1-[4-(2-chlorophenyl)piperazin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
CID 4808103
1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
CID 55747786
1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(4-fluorophenyl)butane-1,4-dione
CID 70754899
(2R)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide
CID 94371508
(2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]morpholine-2-carboxamide
CID 94371507
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
CID 46433275
N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 7478580

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione (CID 134020740) is 1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione is Cc1cc(C(=O)CCC(=O)N2CCN(C3CCCC3)CC2)c(C)s1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione?
The InChIKey is UPOOVDKOAKCQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14-13-17(15(2)24-14)18(22)7-8-19(23)21-11-9-20(10-12-21)16-5-3-4-6-16/h13,16H,3-12H2,1-2H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione?
1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione has a molecular weight of 348.51 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione is sourced from PubChem (CID 134020740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).