1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one

C18H28N2OS — CID 162676750

IUPAC1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCCc1cccs1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H28N2OS/c21-18(10-4-8-17-9-5-15-22-17)20-13-11-19(12-14-20)16-6-2-1-3-7-16/h5,9,15-16H,1-4,6-8,10-14H2
InChIKeyOBBDAOKXJFCMPH-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.55
Rot. Bonds5

About 1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one

1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one (PubChem CID 162676750) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
PubChem CID162676750
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCCc1cccs1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H28N2OS/c21-18(10-4-8-17-9-5-15-22-17)20-13-11-19(12-14-20)16-6-2-1-3-7-16/h5,9,15-16H,1-4,6-8,10-14H2
InChIKeyOBBDAOKXJFCMPH-UHFFFAOYSA-N
XLogP3.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one (CID 162676750) is 1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one is O=C(CCCc1cccs1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
The InChIKey is OBBDAOKXJFCMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c21-18(10-4-8-17-9-5-15-22-17)20-13-11-19(12-14-20)16-6-2-1-3-7-16/h5,9,15-16H,1-4,6-8,10-14H2.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one has a molecular weight of 320.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 162676750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).