(3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione

C25H29N3O2 — CID 98708459

IUPAC(3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc2c(c1)CCC2
InChIInChI=1S/C25H29N3O2/c29-24-16-23(25(30)28(24)22-10-9-19-7-4-8-20(19)15-22)26-21-11-13-27(14-12-21)17-18-5-2-1-3-6-18/h1-3,5-6,9-10,15,21,23,26H,4,7-8,11-14,16-17H2/t23-/m1/s1
InChIKeyKPBPIEZHOVINQQ-HSZRJFAPSA-N
MW403.53 g/mol
LogP3.06
Rot. Bonds5

About (3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione

(3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione (PubChem CID 98708459) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is (3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione
PubChem CID98708459
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name(3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc2c(c1)CCC2
InChIInChI=1S/C25H29N3O2/c29-24-16-23(25(30)28(24)22-10-9-19-7-4-8-20(19)15-22)26-21-11-13-27(14-12-21)17-18-5-2-1-3-6-18/h1-3,5-6,9-10,15,21,23,26H,4,7-8,11-14,16-17H2/t23-/m1/s1
InChIKeyKPBPIEZHOVINQQ-HSZRJFAPSA-N
XLogP3.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione (CID 98708459) is (3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione is O=C1C[C@@H](NC2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc2c(c1)CCC2.
What is the InChIKey of (3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione?
The InChIKey is KPBPIEZHOVINQQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-24-16-23(25(30)28(24)22-10-9-19-7-4-8-20(19)15-22)26-21-11-13-27(14-12-21)17-18-5-2-1-3-6-18/h1-3,5-6,9-10,15,21,23,26H,4,7-8,11-14,16-17H2/t23-/m1/s1.
What are the key properties of (3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione?
(3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione has a molecular weight of 403.53 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98708459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).