[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate

C23H22N2O3 — CID 9017616

IUPAC[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCC(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H22N2O3/c26-22(25-12-10-18(11-13-25)17-6-2-1-3-7-17)16-28-23(27)14-19-15-24-21-9-5-4-8-20(19)21/h1-10,15,24H,11-14,16H2
InChIKeySQCKRPJOLJZUMX-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.57
Rot. Bonds5

About [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate

[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 9017616) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate
PubChem CID9017616
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCC(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H22N2O3/c26-22(25-12-10-18(11-13-25)17-6-2-1-3-7-17)16-28-23(27)14-19-15-24-21-9-5-4-8-20(19)21/h1-10,15,24H,11-14,16H2
InChIKeySQCKRPJOLJZUMX-UHFFFAOYSA-N
XLogP3.57
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

3-(1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 2524334
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665707
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-phenoxyacetate
CID 9018269
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] acetate
CID 140988563
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7664769
2-[(5-hydroxy-1H-indol-3-yl)methylsulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 57320278
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate
CID 9346949
2-(1H-indol-3-yl)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114390129
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 8578167
4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 10384807
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,6-difluorobenzoate
CID 9203305
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate (CID 9017616) is [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)OCC(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is SQCKRPJOLJZUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(25-12-10-18(11-13-25)17-6-2-1-3-7-17)16-28-23(27)14-19-15-24-21-9-5-4-8-20(19)21/h1-10,15,24H,11-14,16H2.
What are the key properties of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate?
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 374.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 9017616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).