3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride

C23H30ClN3O2 — CID 154900219

About 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride

3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride (PubChem CID 154900219) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride.

Molecular Properties

• Compound Name: 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride
• PubChem CID: 154900219
• Molecular Formula: C23H30ClN3O2
• Molecular Weight: 415.97 g/mol
• Exact Mass: 415.20
• IUPAC Name: 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride
• SMILES: Cc1c(CC(=O)N2CCC(N)CC2)c2c(n1Cc1ccccc1)CCCC2=O.Cl
• InChI: InChI=1S/C23H29N3O2.ClH/c1-16-19(14-22(28)25-12-10-18(24)11-13-25)23-20(8-5-9-21(23)27)26(16)15-17-6-3-2-4-7-17;/h2-4,6-7,18H,5,8-15,24H2,1H3;1H
• InChIKey: BQDJRKBMGXPWFE-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 68.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.97
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride?

The IUPAC name of 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride (CID 154900219) is 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride.

What is the SMILES notation for 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride?

The canonical SMILES for 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride is Cc1c(CC(=O)N2CCC(N)CC2)c2c(n1Cc1ccccc1)CCCC2=O.Cl.

What is the InChIKey of 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride?

The InChIKey is BQDJRKBMGXPWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.ClH/c1-16-19(14-22(28)25-12-10-18(24)11-13-25)23-20(8-5-9-21(23)27)26(16)15-17-6-3-2-4-7-17;/h2-4,6-7,18H,5,8-15,24H2,1H3;1H.

What are the key properties of 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride?

3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride has a molecular weight of 415.97 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride is sourced from PubChem (CID 154900219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).