2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide

C30H33N3O3 — CID 123473858

IUPAC2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide
SMILESCNC(=O)CC1(C)C(=O)N(C2CCN(C3c4cccc5cccc(c45)C3(C)O)CC2)c2ccccc21
InChIInChI=1S/C30H33N3O3/c1-29(18-25(34)31-3)22-11-4-5-13-24(22)33(28(29)35)20-14-16-32(17-15-20)27-21-10-6-8-19-9-7-12-23(26(19)21)30(27,2)36/h4-13,20,27,36H,14-18H2,1-3H3,(H,31,34)
InChIKeyUPWGZNJYIMVJKJ-UHFFFAOYSA-N
MW483.61 g/mol
LogP4.01
Rot. Bonds4

About 2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide

2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide (PubChem CID 123473858) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is 2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide
PubChem CID123473858
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC Name2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide
SMILESCNC(=O)CC1(C)C(=O)N(C2CCN(C3c4cccc5cccc(c45)C3(C)O)CC2)c2ccccc21
InChIInChI=1S/C30H33N3O3/c1-29(18-25(34)31-3)22-11-4-5-13-24(22)33(28(29)35)20-14-16-32(17-15-20)27-21-10-6-8-19-9-7-12-23(26(19)21)30(27,2)36/h4-13,20,27,36H,14-18H2,1-3H3,(H,31,34)
InChIKeyUPWGZNJYIMVJKJ-UHFFFAOYSA-N
XLogP4.01
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-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

Related Compounds

2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide
CID 90270630
N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide
CID 90270623
2-[(3R)-1-[1-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide
CID 86304973
2-[(3S)-1-[1-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide
CID 86304974
N-methyl-2-(3-methyl-2-oxo-1-piperidin-4-ylindol-3-yl)acetamide
CID 90259654
N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide
CID 86304160
3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one
CID 158172050
2-[3-fluoro-1-[1-(1-methyl-2H-acenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 90259426
2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 86305141
1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one
CID 158694819
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-[2-hydroxy-3-(methylamino)propyl]-3-methylindol-2-one
CID 90270716
2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide
CID 86303395

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide (CID 123473858) is 2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide is CNC(=O)CC1(C)C(=O)N(C2CCN(C3c4cccc5cccc(c45)C3(C)O)CC2)c2ccccc21.
What is the InChIKey of 2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide?
The InChIKey is UPWGZNJYIMVJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-29(18-25(34)31-3)22-11-4-5-13-24(22)33(28(29)35)20-14-16-32(17-15-20)27-21-10-6-8-19-9-7-12-23(26(19)21)30(27,2)36/h4-13,20,27,36H,14-18H2,1-3H3,(H,31,34).
What are the key properties of 2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide?
2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide has a molecular weight of 483.61 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide is sourced from PubChem (CID 123473858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).