1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one

C16H23N3O2S — CID 56816289

IUPAC1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C(CCCc1cccs1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C16H23N3O2S/c20-15(5-1-3-14-4-2-12-22-14)18-9-6-13(7-10-18)19-11-8-17-16(19)21/h2,4,12-13H,1,3,5-11H2,(H,17,21)
InChIKeyGJHLGHICBUVLHS-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.09
Rot. Bonds5

About 1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 56816289) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID56816289
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C(CCCc1cccs1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C16H23N3O2S/c20-15(5-1-3-14-4-2-12-22-14)18-9-6-13(7-10-18)19-11-8-17-16(19)21/h2,4,12-13H,1,3,5-11H2,(H,17,21)
InChIKeyGJHLGHICBUVLHS-UHFFFAOYSA-N
XLogP2.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-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-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one (CID 56816289) is 1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one is O=C(CCCc1cccs1)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is GJHLGHICBUVLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-15(5-1-3-14-4-2-12-22-14)18-9-6-13(7-10-18)19-11-8-17-16(19)21/h2,4,12-13H,1,3,5-11H2,(H,17,21).
What are the key properties of 1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 321.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56816289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).