1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one

C21H24N4OS — CID 97270600

About 1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one

1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one (PubChem CID 97270600) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
• PubChem CID: 97270600
• Molecular Formula: C21H24N4OS
• Molecular Weight: 380.52 g/mol
• Exact Mass: 380.17
• IUPAC Name: 1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
• SMILES: O=C(CCc1ccsc1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1
• InChI: InChI=1S/C21H24N4OS/c26-20(7-6-17-8-13-27-16-17)24-11-3-4-18(14-24)21-23-10-12-25(21)15-19-5-1-2-9-22-19/h1-2,5,8-10,12-13,16,18H,3-4,6-7,11,14-15H2/t18-/m1/s1
• InChIKey: DNDRNGFWJJFIPZ-GOSISDBHSA-N
• XLogP: 3.73
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.52
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?

The IUPAC name of 1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one (CID 97270600) is 1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one.

What is the SMILES notation for 1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?

The canonical SMILES for 1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1.

What is the InChIKey of 1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?

The InChIKey is DNDRNGFWJJFIPZ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4OS/c26-20(7-6-17-8-13-27-16-17)24-11-3-4-18(14-24)21-23-10-12-25(21)15-19-5-1-2-9-22-19/h1-2,5,8-10,12-13,16,18H,3-4,6-7,11,14-15H2/t18-/m1/s1.

What are the key properties of 1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?

1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one has a molecular weight of 380.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 97270600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).