4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride

C32H41Cl2N3O — CID 67670604

IUPAC4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride
SMILESCN(C)CCCc1cccc2c1C(CCN1CCC(c3ccccc3)CC1)(c1ccccc1)C(=O)N2.Cl.Cl
InChIInChI=1S/C32H39N3O.2ClH/c1-34(2)21-10-14-27-13-9-17-29-30(27)32(31(36)33-29,28-15-7-4-8-16-28)20-24-35-22-18-26(19-23-35)25-11-5-3-6-12-25;;/h3-9,11-13,15-17,26H,10,14,18-24H2,1-2H3,(H,33,36);2*1H
InChIKeyPMWDFFDAYGEIRM-UHFFFAOYSA-N
MW554.61 g/mol
LogP6.53
Rot. Bonds9

About 4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride

4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride (PubChem CID 67670604) has the molecular formula C32H41Cl2N3O and a molecular weight of 554.61 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride
PubChem CID67670604
Molecular FormulaC32H41Cl2N3O
Molecular Weight554.61 g/mol
Exact Mass553.26
IUPAC Name4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride
SMILESCN(C)CCCc1cccc2c1C(CCN1CCC(c3ccccc3)CC1)(c1ccccc1)C(=O)N2.Cl.Cl
InChIInChI=1S/C32H39N3O.2ClH/c1-34(2)21-10-14-27-13-9-17-29-30(27)32(31(36)33-29,28-15-7-4-8-16-28)20-24-35-22-18-26(19-23-35)25-11-5-3-6-12-25;;/h3-9,11-13,15-17,26H,10,14,18-24H2,1-2H3,(H,33,36);2*1H
InChIKeyPMWDFFDAYGEIRM-UHFFFAOYSA-N
XLogP6.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.61
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride with MolForge

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Related Compounds

2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione
CID 67667207
6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one
CID 67669564
1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride
CID 139786250
2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione
CID 57118627
5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3035309
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
6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120864
5,5-diphenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 21481466
5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride
CID 3043731
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride?
The IUPAC name of 4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride (CID 67670604) is 4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride is CN(C)CCCc1cccc2c1C(CCN1CCC(c3ccccc3)CC1)(c1ccccc1)C(=O)N2.Cl.Cl.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride?
The InChIKey is PMWDFFDAYGEIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O.2ClH/c1-34(2)21-10-14-27-13-9-17-29-30(27)32(31(36)33-29,28-15-7-4-8-16-28)20-24-35-22-18-26(19-23-35)25-11-5-3-6-12-25;;/h3-9,11-13,15-17,26H,10,14,18-24H2,1-2H3,(H,33,36);2*1H.
What are the key properties of 4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride?
4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride has a molecular weight of 554.61 g/mol, XLogP of 6.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride is sourced from PubChem (CID 67670604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).