(4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone

C23H30N2OS — CID 70831673

IUPAC(4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone
SMILESCc1cc(-c2c(C)cccc2C)sc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H30N2OS/c1-16-7-6-8-17(2)21(16)20-15-18(3)22(27-20)23(26)25-13-11-24(12-14-25)19-9-4-5-10-19/h6-8,15,19H,4-5,9-14H2,1-3H3
InChIKeyDGDBLKOKKJKMGR-UHFFFAOYSA-N
MW382.57 g/mol
LogP5.04
Rot. Bonds3

About (4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone

(4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone (PubChem CID 70831673) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone
PubChem CID70831673
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone
SMILESCc1cc(-c2c(C)cccc2C)sc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H30N2OS/c1-16-7-6-8-17(2)21(16)20-15-18(3)22(27-20)23(26)25-13-11-24(12-14-25)19-9-4-5-10-19/h6-8,15,19H,4-5,9-14H2,1-3H3
InChIKeyDGDBLKOKKJKMGR-UHFFFAOYSA-N
XLogP5.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone with MolForge

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Related Compounds

1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
CID 59338641
[5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 89011143
(4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone
CID 59337865
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
(4-cyclopentylpiperazin-1-yl)-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 55911978
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
2-(2-chloro-3-methylphenyl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 136535913

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone (CID 70831673) is (4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone is Cc1cc(-c2c(C)cccc2C)sc1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone?
The InChIKey is DGDBLKOKKJKMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-16-7-6-8-17(2)21(16)20-15-18(3)22(27-20)23(26)25-13-11-24(12-14-25)19-9-4-5-10-19/h6-8,15,19H,4-5,9-14H2,1-3H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone has a molecular weight of 382.57 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[5-(2,6-dimethylphenyl)-3-methylthiophen-2-yl]methanone is sourced from PubChem (CID 70831673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).