1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one

C15H21N3O2S — CID 136578666

IUPAC1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESCCc1ccsc1C(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C15H21N3O2S/c1-2-11-5-10-21-13(11)14(19)17-7-3-12(4-8-17)18-9-6-16-15(18)20/h5,10,12H,2-4,6-9H2,1H3,(H,16,20)
InChIKeyZNVNZLBVWPBIIM-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.94
Rot. Bonds3

About 1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 136578666) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID136578666
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESCCc1ccsc1C(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C15H21N3O2S/c1-2-11-5-10-21-13(11)14(19)17-7-3-12(4-8-17)18-9-6-16-15(18)20/h5,10,12H,2-4,6-9H2,1H3,(H,16,20)
InChIKeyZNVNZLBVWPBIIM-UHFFFAOYSA-N
XLogP1.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one (CID 136578666) is 1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one is CCc1ccsc1C(=O)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is ZNVNZLBVWPBIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-11-5-10-21-13(11)14(19)17-7-3-12(4-8-17)18-9-6-16-15(18)20/h5,10,12H,2-4,6-9H2,1H3,(H,16,20).
What are the key properties of 1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 307.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 136578666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).