1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one

C15H21N3O2S — CID 56816286

IUPAC1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C(CCc1cccs1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C15H21N3O2S/c19-14(4-3-13-2-1-11-21-13)17-8-5-12(6-9-17)18-10-7-16-15(18)20/h1-2,11-12H,3-10H2,(H,16,20)
InChIKeyVPDNPTGWZKAOOJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.70
Rot. Bonds4

About 1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 56816286) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID56816286
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C(CCc1cccs1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C15H21N3O2S/c19-14(4-3-13-2-1-11-21-13)17-8-5-12(6-9-17)18-10-7-16-15(18)20/h1-2,11-12H,3-10H2,(H,16,20)
InChIKeyVPDNPTGWZKAOOJ-UHFFFAOYSA-N
XLogP1.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one (CID 56816286) is 1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one is O=C(CCc1cccs1)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is VPDNPTGWZKAOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c19-14(4-3-13-2-1-11-21-13)17-8-5-12(6-9-17)18-10-7-16-15(18)20/h1-2,11-12H,3-10H2,(H,16,20).
What are the key properties of 1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 307.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56816286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).