3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one

C13H17N3OS — CID 134792278

IUPAC3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C13H17N3OS/c17-13-14-4-7-16(13)12-1-5-15(6-2-12)9-11-3-8-18-10-11/h3-4,7-8,10,12H,1-2,5-6,9H2,(H,14,17)
InChIKeyYPCCXSBJXWKSQQ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.08
Rot. Bonds3

About 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one

3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one (PubChem CID 134792278) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one
PubChem CID134792278
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C13H17N3OS/c17-13-14-4-7-16(13)12-1-5-15(6-2-12)9-11-3-8-18-10-11/h3-4,7-8,10,12H,1-2,5-6,9H2,(H,14,17)
InChIKeyYPCCXSBJXWKSQQ-UHFFFAOYSA-N
XLogP2.08
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one?
The IUPAC name of 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one (CID 134792278) is 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one?
The canonical SMILES for 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one is O=c1[nH]ccn1C1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one?
The InChIKey is YPCCXSBJXWKSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-13-14-4-7-16(13)12-1-5-15(6-2-12)9-11-3-8-18-10-11/h3-4,7-8,10,12H,1-2,5-6,9H2,(H,14,17).
What are the key properties of 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one?
3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one has a molecular weight of 263.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one is sourced from PubChem (CID 134792278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).