1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone

C19H21NO4S — CID 71801062

IUPAC1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C19H21NO4S/c21-19(15-3-4-17-18(10-15)24-13-23-17)20-7-5-14(6-8-20)11-25-12-16-2-1-9-22-16/h1-4,9-10,14H,5-8,11-13H2
InChIKeyUVEYRQMOQHQLCX-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.79
Rot. Bonds5

About 1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone (PubChem CID 71801062) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone
PubChem CID71801062
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C19H21NO4S/c21-19(15-3-4-17-18(10-15)24-13-23-17)20-7-5-14(6-8-20)11-25-12-16-2-1-9-22-16/h1-4,9-10,14H,5-8,11-13H2
InChIKeyUVEYRQMOQHQLCX-UHFFFAOYSA-N
XLogP3.79
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
CID 71801121
[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 71801058
[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 71801069
1,3-benzodioxol-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80546008
[4-(aminooxymethyl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
CID 39377171
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone
CID 71783185
N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
CID 46020083
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
CID 71801126
4-(furan-2-ylmethylsulfanylmethyl)-1-methylsulfonylpiperidine
CID 71801136
[4-(2-aminobenzoyl)piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone
CID 119944182
1,3-benzodioxol-5-yl-(4-methylazepan-1-yl)methanone
CID 84582371

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone (CID 71801062) is 1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCC(CSCc2ccco2)CC1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone?
The InChIKey is UVEYRQMOQHQLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c21-19(15-3-4-17-18(10-15)24-13-23-17)20-7-5-14(6-8-20)11-25-12-16-2-1-9-22-16/h1-4,9-10,14H,5-8,11-13H2.
What are the key properties of 1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone has a molecular weight of 359.45 g/mol, XLogP of 3.79, 5 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-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 71801062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).