1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

C23H25ClN4O2 — CID 95814306

About 1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (PubChem CID 95814306) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
• PubChem CID: 95814306
• Molecular Formula: C23H25ClN4O2
• Molecular Weight: 424.93 g/mol
• Exact Mass: 424.17
• IUPAC Name: 1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
• SMILES: Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)Cc3nonc3C)C2)n1
• InChI: InChI=1S/C23H25ClN4O2/c1-15-10-17(11-18-6-3-4-8-20(18)24)12-22(25-15)19-7-5-9-28(14-19)23(29)13-21-16(2)26-30-27-21/h3-4,6,8,10,12,19H,5,7,9,11,13-14H2,1-2H3/t19-/m0/s1
• InChIKey: IZUTWJUJWUPBHH-IBGZPJMESA-N
• XLogP: 4.27
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.93
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

The IUPAC name of 1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (CID 95814306) is 1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

What is the SMILES notation for 1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

The canonical SMILES for 1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)Cc3nonc3C)C2)n1.

What is the InChIKey of 1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

The InChIKey is IZUTWJUJWUPBHH-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-15-10-17(11-18-6-3-4-8-20(18)24)12-22(25-15)19-7-5-9-28(14-19)23(29)13-21-16(2)26-30-27-21/h3-4,6,8,10,12,19H,5,7,9,11,13-14H2,1-2H3/t19-/m0/s1.

What are the key properties of 1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone has a molecular weight of 424.93 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 95814306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).