2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide

C29H31N3O4 — CID 86305141

IUPAC2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
SMILESCNC(=O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5ccc(OC)c3c45)CC2)c2ccccc21
InChIInChI=1S/C29H31N3O4/c1-30-25(33)17-29(35)21-8-3-4-9-22(21)32(28(29)34)20-12-14-31(15-13-20)23-16-19-7-5-6-18-10-11-24(36-2)27(23)26(18)19/h3-11,20,23,35H,12-17H2,1-2H3,(H,30,33)
InChIKeyPGPTWGWPXPBSTK-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.28
Rot. Bonds5

About 2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide

2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide (PubChem CID 86305141) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
PubChem CID86305141
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC Name2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
SMILESCNC(=O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5ccc(OC)c3c45)CC2)c2ccccc21
InChIInChI=1S/C29H31N3O4/c1-30-25(33)17-29(35)21-8-3-4-9-22(21)32(28(29)34)20-12-14-31(15-13-20)23-16-19-7-5-6-18-10-11-24(36-2)27(23)26(18)19/h3-11,20,23,35H,12-17H2,1-2H3,(H,30,33)
InChIKeyPGPTWGWPXPBSTK-UHFFFAOYSA-N
XLogP3.28
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide (CID 86305141) is 2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide is CNC(=O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5ccc(OC)c3c45)CC2)c2ccccc21.
What is the InChIKey of 2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide?
The InChIKey is PGPTWGWPXPBSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-30-25(33)17-29(35)21-8-3-4-9-22(21)32(28(29)34)20-12-14-31(15-13-20)23-16-19-7-5-6-18-10-11-24(36-2)27(23)26(18)19/h3-11,20,23,35H,12-17H2,1-2H3,(H,30,33).
What are the key properties of 2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide?
2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide has a molecular weight of 485.58 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide is sourced from PubChem (CID 86305141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).