1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone

C19H20N2O4 — CID 71799555

IUPAC1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCc1cccc(OC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C19H20N2O4/c1-13-3-2-4-18(20-13)25-15-7-9-21(10-8-15)19(22)14-5-6-16-17(11-14)24-12-23-16/h2-6,11,15H,7-10,12H2,1H3
InChIKeyVOPQKPORNRUFLO-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.80
Rot. Bonds3

About 1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 71799555) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
PubChem CID71799555
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCc1cccc(OC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C19H20N2O4/c1-13-3-2-4-18(20-13)25-15-7-9-21(10-8-15)19(22)14-5-6-16-17(11-14)24-12-23-16/h2-6,11,15H,7-10,12H2,1H3
InChIKeyVOPQKPORNRUFLO-UHFFFAOYSA-N
XLogP2.80
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzodioxol-5-yl-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 124891027
(E)-3-(1,3-benzodioxol-5-yl)-1-[3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]prop-2-en-1-one
CID 117054415
1,3-benzodioxol-5-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 91627465
4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628963
(4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129417594
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
(2,5-dichlorophenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71799558
1,3-benzodioxol-5-yl-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639538
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124985003
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851965

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone (CID 71799555) is 1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone is Cc1cccc(OC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The InChIKey is VOPQKPORNRUFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-3-2-4-18(20-13)25-15-7-9-21(10-8-15)19(22)14-5-6-16-17(11-14)24-12-23-16/h2-6,11,15H,7-10,12H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 340.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71799555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).