[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone

C15H19N3OS — CID 56779718

IUPAC[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCCc1nccn1C1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C15H19N3OS/c1-2-14-16-6-8-18(14)13-4-3-7-17(10-13)15(19)12-5-9-20-11-12/h5-6,8-9,11,13H,2-4,7,10H2,1H3
InChIKeyLZQXRKHHTMLOSF-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.98
Rot. Bonds3

About [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone

[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 56779718) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID56779718
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCCc1nccn1C1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C15H19N3OS/c1-2-14-16-6-8-18(14)13-4-3-7-17(10-13)15(19)12-5-9-20-11-12/h5-6,8-9,11,13H,2-4,7,10H2,1H3
InChIKeyLZQXRKHHTMLOSF-UHFFFAOYSA-N
XLogP2.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 56779718) is [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone is CCc1nccn1C1CCCN(C(=O)c2ccsc2)C1.
What is the InChIKey of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is LZQXRKHHTMLOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-14-16-6-8-18(14)13-4-3-7-17(10-13)15(19)12-5-9-20-11-12/h5-6,8-9,11,13H,2-4,7,10H2,1H3.
What are the key properties of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 289.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 56779718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).