(1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone

C23H24N2O4 — CID 110616130

IUPAC(1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone
SMILESO=C(c1ccccc1)N1CCC(C(=O)N2CCc3cc4c(cc3C2)OCO4)CC1
InChIInChI=1S/C23H24N2O4/c26-22(16-4-2-1-3-5-16)24-9-6-17(7-10-24)23(27)25-11-8-18-12-20-21(29-15-28-20)13-19(18)14-25/h1-5,12-13,17H,6-11,14-15H2
InChIKeyMWOVDLIWNSGXGU-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.85
Rot. Bonds2

About (1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone

(1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone (PubChem CID 110616130) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone
PubChem CID110616130
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone
SMILESO=C(c1ccccc1)N1CCC(C(=O)N2CCc3cc4c(cc3C2)OCO4)CC1
InChIInChI=1S/C23H24N2O4/c26-22(16-4-2-1-3-5-16)24-9-6-17(7-10-24)23(27)25-11-8-18-12-20-21(29-15-28-20)13-19(18)14-25/h1-5,12-13,17H,6-11,14-15H2
InChIKeyMWOVDLIWNSGXGU-UHFFFAOYSA-N
XLogP2.85
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone with MolForge

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Related Compounds

7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone
CID 110661408
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 38383791
(1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone
CID 167990894
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923
3-cyclopropyl-1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-3-phenylpropan-1-one
CID 110616125
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]methanone
CID 131917103
N-cyclopropyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110616138
(E)-1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-methyl-3-phenylprop-2-en-1-one
CID 110616132
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide
CID 110615621
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
(3-chlorophenyl)-(3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl)methanone
CID 110647111

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone?
The IUPAC name of (1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone (CID 110616130) is (1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone.
What is the SMILES notation for (1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone?
The canonical SMILES for (1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone is O=C(c1ccccc1)N1CCC(C(=O)N2CCc3cc4c(cc3C2)OCO4)CC1.
What is the InChIKey of (1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone?
The InChIKey is MWOVDLIWNSGXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-22(16-4-2-1-3-5-16)24-9-6-17(7-10-24)23(27)25-11-8-18-12-20-21(29-15-28-20)13-19(18)14-25/h1-5,12-13,17H,6-11,14-15H2.
What are the key properties of (1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone?
(1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone has a molecular weight of 392.46 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone is sourced from PubChem (CID 110616130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).