6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one

C31H37N3O — CID 67669564

IUPAC6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one
SMILESCCN(CC)c1ccc2c(c1)NC(=O)C2(CCN1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C31H37N3O/c1-3-34(4-2)27-15-16-28-29(23-27)32-30(35)31(28,26-13-9-6-10-14-26)19-22-33-20-17-25(18-21-33)24-11-7-5-8-12-24/h5-16,23,25H,3-4,17-22H2,1-2H3,(H,32,35)
InChIKeyDSQYUFLKDFVWNV-UHFFFAOYSA-N
MW467.66 g/mol
LogP6.04
Rot. Bonds8

About 6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one

6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one (PubChem CID 67669564) has the molecular formula C31H37N3O and a molecular weight of 467.66 g/mol. Its IUPAC name is 6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one
PubChem CID67669564
Molecular FormulaC31H37N3O
Molecular Weight467.66 g/mol
Exact Mass467.29
IUPAC Name6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one
SMILESCCN(CC)c1ccc2c(c1)NC(=O)C2(CCN1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C31H37N3O/c1-3-34(4-2)27-15-16-28-29(23-27)32-30(35)31(28,26-13-9-6-10-14-26)19-22-33-20-17-25(18-21-33)24-11-7-5-8-12-24/h5-16,23,25H,3-4,17-22H2,1-2H3,(H,32,35)
InChIKeyDSQYUFLKDFVWNV-UHFFFAOYSA-N
XLogP6.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.66
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride
CID 67670604
1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride
CID 139786250
2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione
CID 67667207
2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione
CID 57118627
5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride
CID 139786241
5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56811818
ethyl 4-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]piperazine-1-carboxylate;dihydrochloride
CID 139786162
5,5-diphenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 21481466
5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3035309
6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120864
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one?
The IUPAC name of 6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one (CID 67669564) is 6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one.
What is the SMILES notation for 6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one?
The canonical SMILES for 6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one is CCN(CC)c1ccc2c(c1)NC(=O)C2(CCN1CCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one?
The InChIKey is DSQYUFLKDFVWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O/c1-3-34(4-2)27-15-16-28-29(23-27)32-30(35)31(28,26-13-9-6-10-14-26)19-22-33-20-17-25(18-21-33)24-11-7-5-8-12-24/h5-16,23,25H,3-4,17-22H2,1-2H3,(H,32,35).
What are the key properties of 6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one?
6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one has a molecular weight of 467.66 g/mol, XLogP of 6.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one is sourced from PubChem (CID 67669564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).