methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate

C29H33N3O5 — CID 134231917

IUPACmethyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate
SMILESC=Cc1cccc2c1/C(=C\C)C(N1CCC(N3C(=O)C(O)(CNC(=O)OC)c4ccccc43)CC1)[C@@H]2O
InChIInChI=1S/C29H33N3O5/c1-4-18-9-8-10-21-24(18)20(5-2)25(26(21)33)31-15-13-19(14-16-31)32-23-12-7-6-11-22(23)29(36,27(32)34)17-30-28(35)37-3/h4-12,19,25-26,33,36H,1,13-17H2,2-3H3,(H,30,35)/b20-5+/t25?,26-,29?/m1/s1
InChIKeyPXXQVORPLZIDDX-OFKCARBUSA-N
MW503.60 g/mol
LogP3.20
Rot. Bonds5

About methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate

methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate (PubChem CID 134231917) has the molecular formula C29H33N3O5 and a molecular weight of 503.60 g/mol. Its IUPAC name is methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate
PubChem CID134231917
Molecular FormulaC29H33N3O5
Molecular Weight503.60 g/mol
Exact Mass503.24
IUPAC Namemethyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate
SMILESC=Cc1cccc2c1/C(=C\C)C(N1CCC(N3C(=O)C(O)(CNC(=O)OC)c4ccccc43)CC1)[C@@H]2O
InChIInChI=1S/C29H33N3O5/c1-4-18-9-8-10-21-24(18)20(5-2)25(26(21)33)31-15-13-19(14-16-31)32-23-12-7-6-11-22(23)29(36,27(32)34)17-30-28(35)37-3/h4-12,19,25-26,33,36H,1,13-17H2,2-3H3,(H,30,35)/b20-5+/t25?,26-,29?/m1/s1
InChIKeyPXXQVORPLZIDDX-OFKCARBUSA-N
XLogP3.20
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate with MolForge

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Related Compounds

methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate
CID 144663015
3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one
CID 158172050
2-[1-[1-(2,2-dimethyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]-N-methylacetamide
CID 90270630
2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide
CID 86303395
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one
CID 123860057
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
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
3-(3-amino-2-hydroxypropyl)-1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxyindol-2-one
CID 86302759
2-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide
CID 123473858
1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione
CID 123873091
2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 86305141
ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate
CID 90270713

Frequently Asked Questions

What is the IUPAC name of methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate?
The IUPAC name of methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate (CID 134231917) is methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate is C=Cc1cccc2c1/C(=C\C)C(N1CCC(N3C(=O)C(O)(CNC(=O)OC)c4ccccc43)CC1)[C@@H]2O.
What is the InChIKey of methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate?
The InChIKey is PXXQVORPLZIDDX-OFKCARBUSA-N. The full InChI is InChI=1S/C29H33N3O5/c1-4-18-9-8-10-21-24(18)20(5-2)25(26(21)33)31-15-13-19(14-16-31)32-23-12-7-6-11-22(23)29(36,27(32)34)17-30-28(35)37-3/h4-12,19,25-26,33,36H,1,13-17H2,2-3H3,(H,30,35)/b20-5+/t25?,26-,29?/m1/s1.
What are the key properties of methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate?
methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate has a molecular weight of 503.60 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-[1-[(1R,3E)-4-ethenyl-3-ethylidene-1-hydroxy-1,2-dihydroinden-2-yl]piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]methyl]carbamate is sourced from PubChem (CID 134231917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).