3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione

C24H26N4O2 — CID 19058082

IUPAC3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc2cc[nH]c2c1
InChIInChI=1S/C24H26N4O2/c29-23-15-22(24(30)28(23)20-7-6-18-8-11-25-21(18)14-20)26-19-9-12-27(13-10-19)16-17-4-2-1-3-5-17/h1-8,11,14,19,22,25-26H,9-10,12-13,15-16H2
InChIKeyIRCNXTDFJLUJDY-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.05
Rot. Bonds5

About 3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione

3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione (PubChem CID 19058082) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione
PubChem CID19058082
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc2cc[nH]c2c1
InChIInChI=1S/C24H26N4O2/c29-23-15-22(24(30)28(23)20-7-6-18-8-11-25-21(18)14-20)26-19-9-12-27(13-10-19)16-17-4-2-1-3-5-17/h1-8,11,14,19,22,25-26H,9-10,12-13,15-16H2
InChIKeyIRCNXTDFJLUJDY-UHFFFAOYSA-N
XLogP3.05
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione
CID 98708459
1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione
CID 19058066
3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 19057923
1-(1H-indol-6-yl)-3-phenylsulfanylpyrrolidine-2,5-dione
CID 19058537
[2-(4-chlorophenyl)-2-oxoethyl] 4-[3-[(1-benzylpiperidin-4-yl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21170123
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole
CID 174880167
(3R)-1-(3,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560441
1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione
CID 2949824
1-(4-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione
CID 5306086
1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione
CID 155114952
3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione
CID 19058535

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione (CID 19058082) is 3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione is O=C1CC(NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc2cc[nH]c2c1.
What is the InChIKey of 3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione?
The InChIKey is IRCNXTDFJLUJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-23-15-22(24(30)28(23)20-7-6-18-8-11-25-21(18)14-20)26-19-9-12-27(13-10-19)16-17-4-2-1-3-5-17/h1-8,11,14,19,22,25-26H,9-10,12-13,15-16H2.
What are the key properties of 3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione?
3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione has a molecular weight of 402.50 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 19058082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).