(5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C21H24N4OS — CID 97285073

About (5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97285073) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97285073
• Molecular Formula: C21H24N4OS
• Molecular Weight: 380.52 g/mol
• Exact Mass: 380.17
• IUPAC Name: (5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: CCc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)s1
• InChI: InChI=1S/C21H24N4OS/c1-2-18-8-9-19(27-18)21(26)25-12-5-6-16(14-25)20-23-11-13-24(20)15-17-7-3-4-10-22-17/h3-4,7-11,13,16H,2,5-6,12,14-15H2,1H3/t16-/m1/s1
• InChIKey: PXRWVFNWHQPWHF-MRXNPFEDSA-N
• XLogP: 3.97
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.52
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97285073) is (5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)s1.

What is the InChIKey of (5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is PXRWVFNWHQPWHF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-2-18-8-9-19(27-18)21(26)25-12-5-6-16(14-25)20-23-11-13-24(20)15-17-7-3-4-10-22-17/h3-4,7-11,13,16H,2,5-6,12,14-15H2,1H3/t16-/m1/s1.

What are the key properties of (5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

(5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 380.52 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97285073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).