1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride

C29H33ClN2O — CID 139786250

IUPAC1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride
SMILESCCN1C(=O)C(CCN2CCC(c3ccccc3)CC2)(c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C29H32N2O.ClH/c1-2-31-27-16-10-9-15-26(27)29(28(31)32,25-13-7-4-8-14-25)19-22-30-20-17-24(18-21-30)23-11-5-3-6-12-23;/h3-16,24H,2,17-22H2,1H3;1H
InChIKeyICUUIXJSERMVEF-UHFFFAOYSA-N
MW461.05 g/mol
LogP6.03
Rot. Bonds6

About 1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride

1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride (PubChem CID 139786250) has the molecular formula C29H33ClN2O and a molecular weight of 461.05 g/mol. Its IUPAC name is 1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride
PubChem CID139786250
Molecular FormulaC29H33ClN2O
Molecular Weight461.05 g/mol
Exact Mass460.23
IUPAC Name1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride
SMILESCCN1C(=O)C(CCN2CCC(c3ccccc3)CC2)(c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C29H32N2O.ClH/c1-2-31-27-16-10-9-15-26(27)29(28(31)32,25-13-7-4-8-14-25)19-22-30-20-17-24(18-21-30)23-11-5-3-6-12-23;/h3-16,24H,2,17-22H2,1H3;1H
InChIKeyICUUIXJSERMVEF-UHFFFAOYSA-N
XLogP6.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.05
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione
CID 57118627
ethyl 4-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]piperazine-1-carboxylate;dihydrochloride
CID 139786162
5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride
CID 139786241
4-[4-[2-(1-ethyl-2-oxo-3-phenylindol-3-yl)ethyl]piperazin-1-yl]benzonitrile
CID 57040062
6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one
CID 67669564
(3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
CID 97356398
(3R)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
CID 97356397
5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56811818
(3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one
CID 97356417
4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride
CID 67670604
5,5-diphenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 21481466
2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione
CID 67667207

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride?
The IUPAC name of 1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride (CID 139786250) is 1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride.
What is the SMILES notation for 1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride?
The canonical SMILES for 1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride is CCN1C(=O)C(CCN2CCC(c3ccccc3)CC2)(c2ccccc2)c2ccccc21.Cl.
What is the InChIKey of 1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride?
The InChIKey is ICUUIXJSERMVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O.ClH/c1-2-31-27-16-10-9-15-26(27)29(28(31)32,25-13-7-4-8-14-25)19-22-30-20-17-24(18-21-30)23-11-5-3-6-12-23;/h3-16,24H,2,17-22H2,1H3;1H.
What are the key properties of 1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride?
1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride has a molecular weight of 461.05 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride is sourced from PubChem (CID 139786250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).