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

C17H24N2O6S — CID 18209353

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H24N2O6S/c1-23-9-6-18-17(20)13-4-7-19(8-5-13)26(21,22)14-2-3-15-16(12-14)25-11-10-24-15/h2-3,12-13H,4-11H2,1H3,(H,18,20)
InChIKeyYMJNDEKHOVMTFK-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.62
Rot. Bonds6

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

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 18209353) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID18209353
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H24N2O6S/c1-23-9-6-18-17(20)13-4-7-19(8-5-13)26(21,22)14-2-3-15-16(12-14)25-11-10-24-15/h2-3,12-13H,4-11H2,1H3,(H,18,20)
InChIKeyYMJNDEKHOVMTFK-UHFFFAOYSA-N
XLogP0.62
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 1594288
(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide
CID 57401604
1-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide
CID 4878006
1-acetyl-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 9534152
2-[(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-methyl-amino]-N-(2-methoxy-ethyl)-acetamide
CID 649997
1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-piperidine-4-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 654254
1-Cyclohexyl-3-[1-(2,3-dihydro-benzo[1,4]dioxine-6-sulfonyl)-piperidin-4-yl]-urea
CID 654292
Ethyl 1-({4-[(isopropylamino)sulfonyl]phenoxy}acetyl)-4-piperidinecarboxylate
CID 1084699
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088308
N-[2-(cyclohexen-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088328
N-cycloheptyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088329
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 18209353) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=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-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is YMJNDEKHOVMTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-23-9-6-18-17(20)13-4-7-19(8-5-13)26(21,22)14-2-3-15-16(12-14)25-11-10-24-15/h2-3,12-13H,4-11H2,1H3,(H,18,20).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 18209353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).