2-(1-methylpyrrol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone

C22H30N4O — CID 45175882

About 2-(1-methylpyrrol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone

2-(1-methylpyrrol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 45175882) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(1-methylpyrrol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 45175882
• Molecular Formula: C22H30N4O
• Molecular Weight: 366.51 g/mol
• Exact Mass: 366.24
• IUPAC Name: 2-(1-methylpyrrol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone
• SMILES: Cn1ccc(CC(=O)N2CCC(C3CCN(Cc4cccnc4)CC3)C2)c1
• InChI: InChI=1S/C22H30N4O/c1-24-9-4-18(15-24)13-22(27)26-12-7-21(17-26)20-5-10-25(11-6-20)16-19-3-2-8-23-14-19/h2-4,8-9,14-15,20-21H,5-7,10-13,16-17H2,1H3
• InChIKey: KPFTYEPVTOZQFB-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.51
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(1-methylpyrrol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone (CID 45175882) is 2-(1-methylpyrrol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone.

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

The canonical SMILES for 2-(1-methylpyrrol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone is Cn1ccc(CC(=O)N2CCC(C3CCN(Cc4cccnc4)CC3)C2)c1.

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

The InChIKey is KPFTYEPVTOZQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-24-9-4-18(15-24)13-22(27)26-12-7-21(17-26)20-5-10-25(11-6-20)16-19-3-2-8-23-14-19/h2-4,8-9,14-15,20-21H,5-7,10-13,16-17H2,1H3.

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

2-(1-methylpyrrol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 366.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylpyrrol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 45175882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).