1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

C25H30N4O2 — CID 95838850

About 1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one (PubChem CID 95838850) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
• PubChem CID: 95838850
• Molecular Formula: C25H30N4O2
• Molecular Weight: 418.54 g/mol
• Exact Mass: 418.24
• IUPAC Name: 1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
• SMILES: CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)n1
• InChI: InChI=1S/C25H30N4O2/c1-3-23-26-15-17-29(23)24-8-4-7-22(27-24)20-6-5-16-28(18-20)25(30)14-11-19-9-12-21(31-2)13-10-19/h4,7-10,12-13,15,17,20H,3,5-6,11,14,16,18H2,1-2H3/t20-/m1/s1
• InChIKey: YUSVNYUEGJIFGR-HXUWFJFHSA-N
• XLogP: 4.18
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.54
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one?

The IUPAC name of 1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one (CID 95838850) is 1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one.

What is the SMILES notation for 1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one?

The canonical SMILES for 1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one is CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)n1.

What is the InChIKey of 1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one?

The InChIKey is YUSVNYUEGJIFGR-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-23-26-15-17-29(23)24-8-4-7-22(27-24)20-6-5-16-28(18-20)25(30)14-11-19-9-12-21(31-2)13-10-19/h4,7-10,12-13,15,17,20H,3,5-6,11,14,16,18H2,1-2H3/t20-/m1/s1.

What are the key properties of 1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one?

1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 418.54 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 95838850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).