1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride

C26H33ClN4O2 — CID 171666983

About 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride

1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 171666983) has the molecular formula C26H33ClN4O2 and a molecular weight of 469.03 g/mol. Its IUPAC name is 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
• PubChem CID: 171666983
• Molecular Formula: C26H33ClN4O2
• Molecular Weight: 469.03 g/mol
• Exact Mass: 468.23
• IUPAC Name: 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
• SMILES: Cc1ccc2[nH]c(C3CCCN(C(=O)CCN4CCOCC4)C3)c(-c3ccncc3)c2c1.Cl
• InChI: InChI=1S/C26H32N4O2.ClH/c1-19-4-5-23-22(17-19)25(20-6-9-27-10-7-20)26(28-23)21-3-2-11-30(18-21)24(31)8-12-29-13-15-32-16-14-29;/h4-7,9-10,17,21,28H,2-3,8,11-16,18H2,1H3;1H
• InChIKey: ZELURPIDUHGPCJ-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 61.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.03
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride?

The IUPAC name of 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride (CID 171666983) is 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride.

What is the SMILES notation for 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride?

The canonical SMILES for 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride is Cc1ccc2[nH]c(C3CCCN(C(=O)CCN4CCOCC4)C3)c(-c3ccncc3)c2c1.Cl.

What is the InChIKey of 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride?

The InChIKey is ZELURPIDUHGPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2.ClH/c1-19-4-5-23-22(17-19)25(20-6-9-27-10-7-20)26(28-23)21-3-2-11-30(18-21)24(31)8-12-29-13-15-32-16-14-29;/h4-7,9-10,17,21,28H,2-3,8,11-16,18H2,1H3;1H.

What are the key properties of 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride?

1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 469.03 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 171666983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).