6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one

C24H37N3O2 — CID 127036598

IUPAC6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)CCN(C2CCN(C(C)C)C2)C3=O)CC1
InChIInChI=1S/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3
InChIKeyGVSNTQYPFWTBAZ-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.42
Rot. Bonds5

About 6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one

6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one (PubChem CID 127036598) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one
PubChem CID127036598
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)CCN(C2CCN(C(C)C)C2)C3=O)CC1
InChIInChI=1S/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3
InChIKeyGVSNTQYPFWTBAZ-UHFFFAOYSA-N
XLogP3.42
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-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

Related Compounds

4-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]benzonitrile
CID 25218020
2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone
CID 49855513
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone
CID 68269754
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 44275443
2-(1-Cyclobutylpiperidin-4-yl)-6-(1-cyclobutylpiperidin-4-yl)oxy-3,4-dihydroisoquinolin-1-one
CID 127035470
4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 127036359
4-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 127036360
N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 127036362
3-((dimethylamino)methyl)-6-methoxy-2-methyl-4-phenylisoquinolin-1(2H)-one
CID 9840150
(11aR)-8-methoxy-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one
CID 11313985
(11aR)-9-methoxy-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one
CID 11416698
(6-(1-Isopropylpiperidin-4-yloxy)naphthalen-2-yl)(2-methylpyrrolidin-1-yl)methanone
CID 11619374

Frequently Asked Questions

What is the IUPAC name of 6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one (CID 127036598) is 6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one is CC(C)N1CCC(Oc2ccc3c(c2)CCN(C2CCN(C(C)C)C2)C3=O)CC1.
What is the InChIKey of 6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is GVSNTQYPFWTBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3.
What are the key properties of 6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one?
6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 399.58 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 127036598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).