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

C30H33N3O3 — CID 90270630

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

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

2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide (PubChem CID 90270630) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is 2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide
PubChem CID90270630
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC Name2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide
SMILESCNC(=O)CC1(O)C(=O)N(C2CCN(C3c4cccc5cccc(c45)C3(C)C)CC2)c2ccccc21
InChIInChI=1S/C30H33N3O3/c1-29(2)23-12-7-9-19-8-6-10-21(26(19)23)27(29)32-16-14-20(15-17-32)33-24-13-5-4-11-22(24)30(36,28(33)35)18-25(34)31-3/h4-13,20,27,36H,14-18H2,1-3H3,(H,31,34)
InChIKeyZSKLOXSYDLHIQS-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

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Related Compounds

3-[2-(1,2-Dihydroacenaphthylen-4-yl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 145956581
(3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-propan-2-ylindol-2-one
CID 7281011
2-[(3R)-3-fluoro-1-[1-[(2S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 90270671
2-[3-fluoro-1-[1-[(1S,2S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 90270689
2-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 90270692
2-[(3R)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 90270694
2-[(3S)-3-fluoro-1-[1-[(2S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 90270790
2-[3-fluoro-1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 123846945
3-fluoro-1-[1-[(1S,2S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-[2-(methylamino)prop-2-enyl]indol-2-one
CID 134231829
(3R)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-oxobutyl)indol-2-one
CID 134231830
(3R)-3-fluoro-1-[1-[(2S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-oxobutyl)indol-2-one
CID 134231848
(3S)-3-fluoro-1-[1-[(2S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-oxobutyl)indol-2-one
CID 134231849

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide (CID 90270630) is 2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide is CNC(=O)CC1(O)C(=O)N(C2CCN(C3c4cccc5cccc(c45)C3(C)C)CC2)c2ccccc21.
What is the InChIKey of 2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide?
The InChIKey is ZSKLOXSYDLHIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-29(2)23-12-7-9-19-8-6-10-21(26(19)23)27(29)32-16-14-20(15-17-32)33-24-13-5-4-11-22(24)30(36,28(33)35)18-25(34)31-3/h4-13,20,27,36H,14-18H2,1-3H3,(H,31,34).
What are the key properties of 2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide?
2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-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-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide is sourced from PubChem (CID 90270630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).