3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one

C30H32N2O4 — CID 134231814

IUPAC3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one
SMILESCCC(=O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5ccc(OC)c3c45)CC2)c2ccccc21
InChIInChI=1S/C30H32N2O4/c1-3-22(33)18-30(35)23-9-4-5-10-24(23)32(29(30)34)21-13-15-31(16-14-21)25-17-20-8-6-7-19-11-12-26(36-2)28(25)27(19)20/h4-12,21,25,35H,3,13-18H2,1-2H3
InChIKeyKVAWCMGBXXKPHB-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.51
Rot. Bonds6

About 3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one

3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one (PubChem CID 134231814) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one
PubChem CID134231814
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one
SMILESCCC(=O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5ccc(OC)c3c45)CC2)c2ccccc21
InChIInChI=1S/C30H32N2O4/c1-3-22(33)18-30(35)23-9-4-5-10-24(23)32(29(30)34)21-13-15-31(16-14-21)25-17-20-8-6-7-19-11-12-26(36-2)28(25)27(19)20/h4-12,21,25,35H,3,13-18H2,1-2H3
InChIKeyKVAWCMGBXXKPHB-UHFFFAOYSA-N
XLogP4.51
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 86305141
2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide
CID 86303395
3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one
CID 158172050
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one
CID 123860057
3-(3-amino-2-hydroxypropyl)-1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxyindol-2-one
CID 86302759
ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate
CID 90270713
2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide
CID 90270630
1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one
CID 159620793
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one
CID 90259525
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-[1-(methylamino)ethenoxy]indol-2-one
CID 134231839
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-[2-hydroxy-3-(methylamino)propyl]-3-methylindol-2-one
CID 90270716
(3S)-3-[(2S)-3-amino-2-hydroxypropyl]-1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-methylindol-2-one
CID 90270857

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one (CID 134231814) is 3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one is CCC(=O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5ccc(OC)c3c45)CC2)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one?
The InChIKey is KVAWCMGBXXKPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-3-22(33)18-30(35)23-9-4-5-10-24(23)32(29(30)34)21-13-15-31(16-14-21)25-17-20-8-6-7-19-11-12-26(36-2)28(25)27(19)20/h4-12,21,25,35H,3,13-18H2,1-2H3.
What are the key properties of 3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one?
3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one has a molecular weight of 484.60 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one is sourced from PubChem (CID 134231814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).