1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide

C18H26N2O5S — CID 18105997

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C18H26N2O5S/c1-13(2)12-19-18(21)14-5-7-20(8-6-14)26(22,23)15-3-4-16-17(11-15)25-10-9-24-16/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,19,21)
InChIKeyFWSRIHMHGJMCDK-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.63
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 18105997) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID18105997
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C18H26N2O5S/c1-13(2)12-19-18(21)14-5-7-20(8-6-14)26(22,23)15-3-4-16-17(11-15)25-10-9-24-16/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,19,21)
InChIKeyFWSRIHMHGJMCDK-UHFFFAOYSA-N
XLogP1.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide (CID 18105997) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is FWSRIHMHGJMCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-13(2)12-19-18(21)14-5-7-20(8-6-14)26(22,23)15-3-4-16-17(11-15)25-10-9-24-16/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,19,21).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 18105997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).