1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide

C15H22N2O4S — CID 2295654

IUPAC1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O4S/c1-21-12-9-16-15(18)13-7-10-17(11-8-13)22(19,20)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,16,18)
InChIKeyQQDKGVZAODMDND-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.85
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 2295654) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID2295654
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O4S/c1-21-12-9-16-15(18)13-7-10-17(11-8-13)22(19,20)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,16,18)
InChIKeyQQDKGVZAODMDND-UHFFFAOYSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 2295654) is 1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is QQDKGVZAODMDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-21-12-9-16-15(18)13-7-10-17(11-8-13)22(19,20)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,16,18).
What are the key properties of 1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2295654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).