1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one

C24H30N4O2 — CID 167106668

IUPAC1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one
SMILESCN(C)C(Cc1ccccc1)C(=O)N1CCN(C(=O)c2cccc3c2CNC3)CC1
InChIInChI=1S/C24H30N4O2/c1-26(2)22(15-18-7-4-3-5-8-18)24(30)28-13-11-27(12-14-28)23(29)20-10-6-9-19-16-25-17-21(19)20/h3-10,22,25H,11-17H2,1-2H3
InChIKeyWKBWPIRULLZSMG-UHFFFAOYSA-N
MW406.53 g/mol
LogP1.75
Rot. Bonds5

About 1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one

1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one (PubChem CID 167106668) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one
PubChem CID167106668
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one
SMILESCN(C)C(Cc1ccccc1)C(=O)N1CCN(C(=O)c2cccc3c2CNC3)CC1
InChIInChI=1S/C24H30N4O2/c1-26(2)22(15-18-7-4-3-5-8-18)24(30)28-13-11-27(12-14-28)23(29)20-10-6-9-19-16-25-17-21(19)20/h3-10,22,25H,11-17H2,1-2H3
InChIKeyWKBWPIRULLZSMG-UHFFFAOYSA-N
XLogP1.75
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one 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 1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one (CID 167106668) is 1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one is CN(C)C(Cc1ccccc1)C(=O)N1CCN(C(=O)c2cccc3c2CNC3)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one?
The InChIKey is WKBWPIRULLZSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-26(2)22(15-18-7-4-3-5-8-18)24(30)28-13-11-27(12-14-28)23(29)20-10-6-9-19-16-25-17-21(19)20/h3-10,22,25H,11-17H2,1-2H3.
What are the key properties of 1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one?
1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one has a molecular weight of 406.53 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazin-1-yl]-2-(dimethylamino)-3-phenylpropan-1-one is sourced from PubChem (CID 167106668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).