N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

C19H21N3O5S — CID 5307526

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C19H21N3O5S/c23-19(21-15-5-6-17-18(11-15)27-10-9-26-17)14-3-2-8-22(13-14)28(24,25)16-4-1-7-20-12-16/h1,4-7,11-12,14H,2-3,8-10,13H2,(H,21,23)
InChIKeyJGMMJNXQSBJFQM-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.89
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 5307526) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID5307526
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C19H21N3O5S/c23-19(21-15-5-6-17-18(11-15)27-10-9-26-17)14-3-2-8-22(13-14)28(24,25)16-4-1-7-20-12-16/h1,4-7,11-12,14H,2-3,8-10,13H2,(H,21,23)
InChIKeyJGMMJNXQSBJFQM-UHFFFAOYSA-N
XLogP1.89
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 5307526) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is JGMMJNXQSBJFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c23-19(21-15-5-6-17-18(11-15)27-10-9-26-17)14-3-2-8-22(13-14)28(24,25)16-4-1-7-20-12-16/h1,4-7,11-12,14H,2-3,8-10,13H2,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5307526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).