2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one

C20H24N2O2 — CID 126827430

IUPAC2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(O)(c2cccc3cnccc23)CC1)C1CC1
InChIInChI=1S/C20H24N2O2/c1-14(15-5-6-15)19(23)22-11-8-20(24,9-12-22)18-4-2-3-16-13-21-10-7-17(16)18/h2-4,7,10,13-15,24H,5-6,8-9,11-12H2,1H3
InChIKeyWBKAVBDMEIRBNV-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.09
Rot. Bonds3

About 2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one

2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one (PubChem CID 126827430) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one
PubChem CID126827430
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(O)(c2cccc3cnccc23)CC1)C1CC1
InChIInChI=1S/C20H24N2O2/c1-14(15-5-6-15)19(23)22-11-8-20(24,9-12-22)18-4-2-3-16-13-21-10-7-17(16)18/h2-4,7,10,13-15,24H,5-6,8-9,11-12H2,1H3
InChIKeyWBKAVBDMEIRBNV-UHFFFAOYSA-N
XLogP3.09
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-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

1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)-3-methylbut-2-en-1-one
CID 126827427
(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)-[(1S,2R)-1-methyl-2-phenylcyclopropyl]methanone
CID 166254624
1-isoquinolin-5-yl-4-methylcycloheptan-1-ol
CID 65084645
1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol
CID 62811614
3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol
CID 106823348
2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103727494
ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate
CID 15124802
3-isoquinolin-5-yl-5,5-dimethylthian-3-ol
CID 79946733
1-isoquinolin-5-yl-4-methylcyclohexan-1-amine
CID 55119185
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147
1-isoquinolin-5-yl-4-methylcycloheptan-1-amine
CID 65080207
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-isoquinolin-5-ylmethanone
CID 56882612

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one (CID 126827430) is 2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one is CC(C(=O)N1CCC(O)(c2cccc3cnccc23)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one?
The InChIKey is WBKAVBDMEIRBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(15-5-6-15)19(23)22-11-8-20(24,9-12-22)18-4-2-3-16-13-21-10-7-17(16)18/h2-4,7,10,13-15,24H,5-6,8-9,11-12H2,1H3.
What are the key properties of 2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one?
2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 126827430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).