benzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone

C17H17NO3 — CID 90681776

IUPACbenzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2cc3c(cc2c1)OCO3)N1CCCCC1
InChIInChI=1S/C17H17NO3/c19-17(18-6-2-1-3-7-18)13-5-4-12-9-15-16(21-11-20-15)10-14(12)8-13/h4-5,8-10H,1-3,6-7,11H2
InChIKeyGKXHWKOGGAJCKE-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.19
Rot. Bonds1

About benzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone

benzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone (PubChem CID 90681776) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is benzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Namebenzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone
PubChem CID90681776
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namebenzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2cc3c(cc2c1)OCO3)N1CCCCC1
InChIInChI=1S/C17H17NO3/c19-17(18-6-2-1-3-7-18)13-5-4-12-9-15-16(21-11-20-15)10-14(12)8-13/h4-5,8-10H,1-3,6-7,11H2
InChIKeyGKXHWKOGGAJCKE-UHFFFAOYSA-N
XLogP3.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
1,3-benzodioxol-5-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808446
azepan-1-yl-[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-4-yl]methanone
CID 31611555
[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone
CID 108544309
[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(3-hydroxyphenyl)methanone
CID 108548020
1,3-benzodioxol-5-yl-(4-methylazepan-1-yl)methanone
CID 84582371
1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone
CID 108537024
1,3-benzodioxol-5-yl-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 36628594
[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119278638
1,3-benzodioxol-5-yl-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406160
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249928

Frequently Asked Questions

What is the IUPAC name of benzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone?
The IUPAC name of benzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone (CID 90681776) is benzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone.
What is the SMILES notation for benzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone?
The canonical SMILES for benzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone is O=C(c1ccc2cc3c(cc2c1)OCO3)N1CCCCC1.
What is the InChIKey of benzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone?
The InChIKey is GKXHWKOGGAJCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(18-6-2-1-3-7-18)13-5-4-12-9-15-16(21-11-20-15)10-14(12)8-13/h4-5,8-10H,1-3,6-7,11H2.
What are the key properties of benzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone?
benzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f][1,3]benzodioxol-6-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 90681776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).