methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate

C29H31N3O4 — CID 144663015

IUPACmethyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate
SMILESCOC(=O)NCC1(O)C(=O)N(C2CCN(C3c4cccc5cccc(c45)C3C)CC2)c2ccccc21
InChIInChI=1S/C29H31N3O4/c1-18-21-9-5-7-19-8-6-10-22(25(19)21)26(18)31-15-13-20(14-16-31)32-24-12-4-3-11-23(24)29(35,27(32)33)17-30-28(34)36-2/h3-12,18,20,26,35H,13-17H2,1-2H3,(H,30,34)
InChIKeyOWADADQWSFZCHD-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.05
Rot. Bonds4

About methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate

methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate (PubChem CID 144663015) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate
PubChem CID144663015
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC Namemethyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate
SMILESCOC(=O)NCC1(O)C(=O)N(C2CCN(C3c4cccc5cccc(c45)C3C)CC2)c2ccccc21
InChIInChI=1S/C29H31N3O4/c1-18-21-9-5-7-19-8-6-10-22(25(19)21)26(18)31-15-13-20(14-16-31)32-24-12-4-3-11-23(24)29(35,27(32)33)17-30-28(34)36-2/h3-12,18,20,26,35H,13-17H2,1-2H3,(H,30,34)
InChIKeyOWADADQWSFZCHD-UHFFFAOYSA-N
XLogP4.05
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one
CID 158172050
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
ethyl 2-[1-[1-[(1R,2S)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetate
CID 118522188
ethyl 2-[1-[1-[(2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetate
CID 134231915
2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid
CID 118522148
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-[1-[1-(2-hydroxy-2-methyl-1H-acenaphthylen-1-yl)piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide
CID 123473858
2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 86305141
3-(3-amino-2-hydroxypropyl)-1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxyindol-2-one
CID 86302759
1-[1-(2-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1'-methylspiro[indole-3,4'-pyrrolidine]-2,2'-dione
CID 123873091

Frequently Asked Questions

What is the IUPAC name of methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate?
The IUPAC name of methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate (CID 144663015) is methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate is COC(=O)NCC1(O)C(=O)N(C2CCN(C3c4cccc5cccc(c45)C3C)CC2)c2ccccc21.
What is the InChIKey of methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate?
The InChIKey is OWADADQWSFZCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-18-21-9-5-7-19-8-6-10-22(25(19)21)26(18)31-15-13-20(14-16-31)32-24-12-4-3-11-23(24)29(35,27(32)33)17-30-28(34)36-2/h3-12,18,20,26,35H,13-17H2,1-2H3,(H,30,34).
What are the key properties of methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate?
methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate has a molecular weight of 485.58 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]methyl]carbamate is sourced from PubChem (CID 144663015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).