3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride

C24H38Cl2N4O — CID 119887269

About 3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride

3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride (PubChem CID 119887269) has the molecular formula C24H38Cl2N4O and a molecular weight of 469.50 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

• Compound Name: 3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride
• PubChem CID: 119887269
• Molecular Formula: C24H38Cl2N4O
• Molecular Weight: 469.50 g/mol
• Exact Mass: 468.24
• IUPAC Name: 3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride
• SMILES: CC(CC(=O)N1CCCC(c2nc3ccccc3n2C(C)C)C1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C24H36N4O.2ClH/c1-17(2)28-22-9-5-4-8-21(22)26-24(28)20-7-6-14-27(16-20)23(29)15-18(3)19-10-12-25-13-11-19;;/h4-5,8-9,17-20,25H,6-7,10-16H2,1-3H3;2*1H
• InChIKey: UEJDBFKVYUSUFK-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.50
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride?

The IUPAC name of 3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride (CID 119887269) is 3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride.

What is the SMILES notation for 3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride?

The canonical SMILES for 3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride is CC(CC(=O)N1CCCC(c2nc3ccccc3n2C(C)C)C1)C1CCNCC1.Cl.Cl.

What is the InChIKey of 3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride?

The InChIKey is UEJDBFKVYUSUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O.2ClH/c1-17(2)28-22-9-5-4-8-21(22)26-24(28)20-7-6-14-27(16-20)23(29)15-18(3)19-10-12-25-13-11-19;;/h4-5,8-9,17-20,25H,6-7,10-16H2,1-3H3;2*1H.

What are the key properties of 3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride?

3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 469.50 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 119887269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).