1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one

C13H17N3O2S — CID 71807074

IUPAC1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C13H17N3O2S/c17-12-14-4-7-16(12)13(18)15-5-1-10(2-6-15)11-3-8-19-9-11/h3,8-10H,1-2,4-7H2,(H,14,17)
InChIKeyFDAIIQRGOZIKFB-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.07
Rot. Bonds1

About 1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one

1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one (PubChem CID 71807074) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one
PubChem CID71807074
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C13H17N3O2S/c17-12-14-4-7-16(12)13(18)15-5-1-10(2-6-15)11-3-8-19-9-11/h3,8-10H,1-2,4-7H2,(H,14,17)
InChIKeyFDAIIQRGOZIKFB-UHFFFAOYSA-N
XLogP2.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one (CID 71807074) is 1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one is O=C1NCCN1C(=O)N1CCC(c2ccsc2)CC1.
What is the InChIKey of 1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one?
The InChIKey is FDAIIQRGOZIKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c17-12-14-4-7-16(12)13(18)15-5-1-10(2-6-15)11-3-8-19-9-11/h3,8-10H,1-2,4-7H2,(H,14,17).
What are the key properties of 1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one?
1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one has a molecular weight of 279.36 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-3-ylpiperidine-1-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 71807074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).