1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one

C25H34N4O2 — CID 11582588

About 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one

1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one (PubChem CID 11582588) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one.

Molecular Properties

• Compound Name: 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one
• PubChem CID: 11582588
• Molecular Formula: C25H34N4O2
• Molecular Weight: 422.57 g/mol
• Exact Mass: 422.27
• IUPAC Name: 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one
• SMILES: CN1CCNC(c2ccccc2CC2CCCN(c3ccc(C(C)(C)O)nc3)C2=O)C1
• InChI: InChI=1S/C25H34N4O2/c1-25(2,31)23-11-10-20(16-27-23)29-13-6-8-19(24(29)30)15-18-7-4-5-9-21(18)22-17-28(3)14-12-26-22/h4-5,7,9-11,16,19,22,26,31H,6,8,12-15,17H2,1-3H3
• InChIKey: CLYPJLOKMIQILO-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 68.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.57
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one?

The IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one (CID 11582588) is 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one.

What is the SMILES notation for 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one?

The canonical SMILES for 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one is CN1CCNC(c2ccccc2CC2CCCN(c3ccc(C(C)(C)O)nc3)C2=O)C1.

What is the InChIKey of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one?

The InChIKey is CLYPJLOKMIQILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-25(2,31)23-11-10-20(16-27-23)29-13-6-8-19(24(29)30)15-18-7-4-5-9-21(18)22-17-28(3)14-12-26-22/h4-5,7,9-11,16,19,22,26,31H,6,8,12-15,17H2,1-3H3.

What are the key properties of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one?

1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one has a molecular weight of 422.57 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-2-yl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 11582588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).