1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide

C17H24N2O5S — CID 645869

IUPAC1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1COCCO1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O5S/c20-17(18-12-15-13-23-10-11-24-15)14-6-8-19(9-7-14)25(21,22)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2,(H,18,20)
InChIKeyAVIYLHLUHDTLKT-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.62
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 645869) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID645869
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1COCCO1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O5S/c20-17(18-12-15-13-23-10-11-24-15)14-6-8-19(9-7-14)25(21,22)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2,(H,18,20)
InChIKeyAVIYLHLUHDTLKT-UHFFFAOYSA-N
XLogP0.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide (CID 645869) is 1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1COCCO1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is AVIYLHLUHDTLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c20-17(18-12-15-13-23-10-11-24-15)14-6-8-19(9-7-14)25(21,22)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2,(H,18,20).
What are the key properties of 1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 645869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).