2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

C22H22N2O2 — CID 18125090

IUPAC2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H22N2O2/c1-15-22(19-4-2-3-5-20(19)23-15)21(26)14-24-12-10-17(11-13-24)16-6-8-18(25)9-7-16/h2-10,23,25H,11-14H2,1H3
InChIKeyVPIAMMAIKCCZSF-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.15
Rot. Bonds4

About 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 18125090) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID18125090
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H22N2O2/c1-15-22(19-4-2-3-5-20(19)23-15)21(26)14-24-12-10-17(11-13-24)16-6-8-18(25)9-7-16/h2-10,23,25H,11-14H2,1H3
InChIKeyVPIAMMAIKCCZSF-UHFFFAOYSA-N
XLogP4.15
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone with MolForge

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Related Compounds

1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
CID 659447
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 947076
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
2-methyl-1-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 18086237
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylphenyl)acetamide
CID 18125013
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methylphenyl)acetamide
CID 18125015
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7209430
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylacetamide
CID 47129873
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46563110
4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 10316372
1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
CID 95474523

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone (CID 18125090) is 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CN1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is VPIAMMAIKCCZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-22(19-4-2-3-5-20(19)23-15)21(26)14-24-12-10-17(11-13-24)16-6-8-18(25)9-7-16/h2-10,23,25H,11-14H2,1H3.
What are the key properties of 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 346.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 18125090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).