[1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate

C19H24N2O4 — CID 70460476

IUPAC[1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate
SMILESCOC(=O)OC1CN(CCc2c[nH]c3cc(C)cc(C)c23)CCC1=O
InChIInChI=1S/C19H24N2O4/c1-12-8-13(2)18-14(10-20-15(18)9-12)4-6-21-7-5-16(22)17(11-21)25-19(23)24-3/h8-10,17,20H,4-7,11H2,1-3H3
InChIKeyLUUCYVDWZGCQDE-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.75
Rot. Bonds4

About [1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate

[1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate (PubChem CID 70460476) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate.

Molecular Properties

Compound Name[1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate
PubChem CID70460476
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate
SMILESCOC(=O)OC1CN(CCc2c[nH]c3cc(C)cc(C)c23)CCC1=O
InChIInChI=1S/C19H24N2O4/c1-12-8-13(2)18-14(10-20-15(18)9-12)4-6-21-7-5-16(22)17(11-21)25-19(23)24-3/h8-10,17,20H,4-7,11H2,1-3H3
InChIKeyLUUCYVDWZGCQDE-UHFFFAOYSA-N
XLogP2.75
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate
CID 70460995
[1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride
CID 70460297
[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate
CID 70459591
4-(4,6-dimethyl-1H-indol-3-yl)butanoic acid
CID 82390563
(2S)-2-amino-3-(4,6-dimethyl-1H-indol-3-yl)propanoic acid
CID 96598910
N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
CID 82497754
methyl 2-(4,6-dimethyl-1H-indol-3-yl)-2-oxoacetate
CID 84740886
ethyl [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] carbonate
CID 70459487
methyl (2S)-3-(1H-indol-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
CID 10046547
1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol
CID 82486099
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 71879976
2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one
CID 70255999

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate?
The IUPAC name of [1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate (CID 70460476) is [1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate.
What is the SMILES notation for [1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate?
The canonical SMILES for [1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate is COC(=O)OC1CN(CCc2c[nH]c3cc(C)cc(C)c23)CCC1=O.
What is the InChIKey of [1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate?
The InChIKey is LUUCYVDWZGCQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-8-13(2)18-14(10-20-15(18)9-12)4-6-21-7-5-16(22)17(11-21)25-19(23)24-3/h8-10,17,20H,4-7,11H2,1-3H3.
What are the key properties of [1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate?
[1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate has a molecular weight of 344.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate is sourced from PubChem (CID 70460476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).