3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one

C27H32N2O3 — CID 17131219

About 3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one

3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one (PubChem CID 17131219) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one.

Molecular Properties

• Compound Name: 3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one
• PubChem CID: 17131219
• Molecular Formula: C27H32N2O3
• Molecular Weight: 432.56 g/mol
• Exact Mass: 432.24
• IUPAC Name: 3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one
• SMILES: CC1CCCCN1CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21
• InChI: InChI=1S/C27H32N2O3/c1-19-8-6-7-15-28(19)18-29-24-12-5-4-11-23(24)27(32,26(29)31)17-25(30)22-14-13-20-9-2-3-10-21(20)16-22/h4-5,11-14,16,19,32H,2-3,6-10,15,17-18H2,1H3
• InChIKey: DIAQSUPPNCRCFD-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 60.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.56
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one?

The IUPAC name of 3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one (CID 17131219) is 3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one.

What is the SMILES notation for 3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one?

The canonical SMILES for 3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one is CC1CCCCN1CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21.

What is the InChIKey of 3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one?

The InChIKey is DIAQSUPPNCRCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-19-8-6-7-15-28(19)18-29-24-12-5-4-11-23(24)27(32,26(29)31)17-25(30)22-14-13-20-9-2-3-10-21(20)16-22/h4-5,11-14,16,19,32H,2-3,6-10,15,17-18H2,1H3.

What are the key properties of 3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one?

3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one has a molecular weight of 432.56 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-1-[(2-methylpiperidin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one is sourced from PubChem (CID 17131219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).