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

C13H19N3OS — CID 134787577

IUPAC1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C13H19N3OS/c17-13-14-4-7-16(13)12-1-5-15(6-2-12)9-11-3-8-18-10-11/h3,8,10,12H,1-2,4-7,9H2,(H,14,17)
InChIKeyNKCDWZQXCZPEPB-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.74
Rot. Bonds3

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

1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 134787577) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID134787577
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C13H19N3OS/c17-13-14-4-7-16(13)12-1-5-15(6-2-12)9-11-3-8-18-10-11/h3,8,10,12H,1-2,4-7,9H2,(H,14,17)
InChIKeyNKCDWZQXCZPEPB-UHFFFAOYSA-N
XLogP1.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one (CID 134787577) is 1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one is O=C1NCCN1C1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is NKCDWZQXCZPEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c17-13-14-4-7-16(13)12-1-5-15(6-2-12)9-11-3-8-18-10-11/h3,8,10,12H,1-2,4-7,9H2,(H,14,17).
What are the key properties of 1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 265.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 134787577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).