1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide

C19H24N2O4S — CID 131924095

IUPAC1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide
SMILESCc1cc2cc(NC(=O)C3CCN(C4CCS(=O)(=O)C4)CC3)ccc2o1
InChIInChI=1S/C19H24N2O4S/c1-13-10-15-11-16(2-3-18(15)25-13)20-19(22)14-4-7-21(8-5-14)17-6-9-26(23,24)12-17/h2-3,10-11,14,17H,4-9,12H2,1H3,(H,20,22)
InChIKeyZXPKPBWAZDFGAJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.58
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide

1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide (PubChem CID 131924095) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide
PubChem CID131924095
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide
SMILESCc1cc2cc(NC(=O)C3CCN(C4CCS(=O)(=O)C4)CC3)ccc2o1
InChIInChI=1S/C19H24N2O4S/c1-13-10-15-11-16(2-3-18(15)25-13)20-19(22)14-4-7-21(8-5-14)17-6-9-26(23,24)12-17/h2-3,10-11,14,17H,4-9,12H2,1H3,(H,20,22)
InChIKeyZXPKPBWAZDFGAJ-UHFFFAOYSA-N
XLogP2.58
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide (CID 131924095) is 1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide is Cc1cc2cc(NC(=O)C3CCN(C4CCS(=O)(=O)C4)CC3)ccc2o1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide?
The InChIKey is ZXPKPBWAZDFGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-10-15-11-16(2-3-18(15)25-13)20-19(22)14-4-7-21(8-5-14)17-6-9-26(23,24)12-17/h2-3,10-11,14,17H,4-9,12H2,1H3,(H,20,22).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide?
1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 131924095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).