1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone

C19H19NO3 — CID 650611

IUPAC1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C19H19NO3/c21-19(15-8-9-17-18(11-15)23-13-22-17)20-10-4-7-16(12-20)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2
InChIKeyVWNPOALPYPUBDG-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.44
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone

1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone (PubChem CID 650611) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone
PubChem CID650611
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C19H19NO3/c21-19(15-8-9-17-18(11-15)23-13-22-17)20-10-4-7-16(12-20)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2
InChIKeyVWNPOALPYPUBDG-UHFFFAOYSA-N
XLogP3.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Donepezil
CID 3152
Protopine
CID 4970
Donepezil Hydrochloride
CID 5741
Allocryptopine
CID 98570
Cryptopine
CID 72616
Piperoleine B
CID 21580213
Oxyberberine
CID 11066
1,3-Benzodioxol-5-yl-1-piperidinylmethanone
CID 1370
N-(1-Propylbutyl)-1,3-benzodioxole-5-carboxamide
CID 22831877
Bis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-, hydrochloride (1:1)
CID 22543
1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
CID 1245700
2-((1-Benzylpiperidin-4-yl)methylene)-5,6-dimethoxyindan-1-one, (E)-
CID 10762160

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone (CID 650611) is 1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone is O=C(c1ccc2c(c1)OCO2)N1CCCC(c2ccccc2)C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone?
The InChIKey is VWNPOALPYPUBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-19(15-8-9-17-18(11-15)23-13-22-17)20-10-4-7-16(12-20)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2.
What are the key properties of 1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone?
1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone has a molecular weight of 309.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(3-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 650611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).