5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

C23H29N3O4 — CID 70690179

IUPAC5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(CC(O)CN1CCN(Cc3ccccc3)CC1)c2=O
InChIInChI=1S/C23H29N3O4/c1-23(2)19-8-9-26(21(28)20(19)22(29)30-23)16-18(27)15-25-12-10-24(11-13-25)14-17-6-4-3-5-7-17/h3-9,18,27H,10-16H2,1-2H3
InChIKeyGTZOIAQAAJGEHL-UHFFFAOYSA-N
MW411.50 g/mol
LogP1.43
Rot. Bonds6

About 5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (PubChem CID 70690179) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
PubChem CID70690179
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(CC(O)CN1CCN(Cc3ccccc3)CC1)c2=O
InChIInChI=1S/C23H29N3O4/c1-23(2)19-8-9-26(21(28)20(19)22(29)30-23)16-18(27)15-25-12-10-24(11-13-25)14-17-6-4-3-5-7-17/h3-9,18,27H,10-16H2,1-2H3
InChIKeyGTZOIAQAAJGEHL-UHFFFAOYSA-N
XLogP1.43
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

5-(2-hydroxy-2-phenylethyl)-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70688141
5-[3-(Diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
CID 71744954
1-Methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
CID 71602492
5-Benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4(1h,5h)-dione
CID 102487597
1-Benzyl-2-oxo-1,2-dihydro-pyridine-3,4-dicarboxylic acid 3-ethyl ester 4-methyl ester
CID 68297279
3-(Ethoxycarbonyl)-1-benzyl-1,2-dihydro-2-oxopyridine-4-carboxylic acid
CID 68297379
4-Ethyl 3-methyl 1-benzyl-1,2-dihydro-2-oxopyridine-3,4-dicarboxylate
CID 68297404
4-(Ethoxycarbonyl)-1-benzyl-1,2-dihydro-2-oxopyridine-3-carboxylic acid
CID 68297515
[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate
CID 55995466
(1S)-5-[(2R)-3-(diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
CID 71602428
Propan-2-yl 1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-oxopyridine-4-carboxylate
CID 75437678
1-[3-(4-Benzylpiperazin-1-YL)-2-hydroxypropyl]-6-oxopyridine-3-carboxylic acid
CID 110129664

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (CID 70690179) is 5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is CC1(C)OC(=O)c2c1ccn(CC(O)CN1CCN(Cc3ccccc3)CC1)c2=O.
What is the InChIKey of 5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The InChIKey is GTZOIAQAAJGEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-23(2)19-8-9-26(21(28)20(19)22(29)30-23)16-18(27)15-25-12-10-24(11-13-25)14-17-6-4-3-5-7-17/h3-9,18,27H,10-16H2,1-2H3.
What are the key properties of 5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione has a molecular weight of 411.50 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 70690179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).