2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C22H24N4O2 — CID 97275627

About 2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 97275627) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 97275627
• Molecular Formula: C22H24N4O2
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.19
• IUPAC Name: 2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• SMILES: O=C(Cc1cccc(O)c1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1
• InChI: InChI=1S/C22H24N4O2/c27-20-5-1-3-18(13-20)14-21(28)25-11-2-4-19(16-25)22-24-10-12-26(22)15-17-6-8-23-9-7-17/h1,3,5-10,12-13,19,27H,2,4,11,14-16H2/t19-/m0/s1
• InChIKey: PNWONJKAHQZCNK-IBGZPJMESA-N
• XLogP: 2.98
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 97275627) is 2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is O=C(Cc1cccc(O)c1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1.

What is the InChIKey of 2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is PNWONJKAHQZCNK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O2/c27-20-5-1-3-18(13-20)14-21(28)25-11-2-4-19(16-25)22-24-10-12-26(22)15-17-6-8-23-9-7-17/h1,3,5-10,12-13,19,27H,2,4,11,14-16H2/t19-/m0/s1.

What are the key properties of 2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 376.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97275627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).