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

C24H29N3O6S — CID 2461541

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H29N3O6S/c28-24(25-19-1-3-20(4-2-19)26-11-13-31-14-12-26)18-7-9-27(10-8-18)34(29,30)21-5-6-22-23(17-21)33-16-15-32-22/h1-6,17-18H,7-16H2,(H,25,28)
InChIKeyNQUQGTXJAYTXAH-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.33
Rot. Bonds5

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

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (PubChem CID 2461541) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
PubChem CID2461541
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H29N3O6S/c28-24(25-19-1-3-20(4-2-19)26-11-13-31-14-12-26)18-7-9-27(10-8-18)34(29,30)21-5-6-22-23(17-21)33-16-15-32-22/h1-6,17-18H,7-16H2,(H,25,28)
InChIKeyNQUQGTXJAYTXAH-UHFFFAOYSA-N
XLogP2.33
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (CID 2461541) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The InChIKey is NQUQGTXJAYTXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c28-24(25-19-1-3-20(4-2-19)26-11-13-31-14-12-26)18-7-9-27(10-8-18)34(29,30)21-5-6-22-23(17-21)33-16-15-32-22/h1-6,17-18H,7-16H2,(H,25,28).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 2461541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).