6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one

C20H18N2O5S — CID 171910398

IUPAC6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one
SMILESO=C(c1ccccn1)C1CCCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1
InChIInChI=1S/C20H18N2O5S/c23-19-9-6-14-12-16(7-8-18(14)27-19)28(25,26)22-11-3-4-15(13-22)20(24)17-5-1-2-10-21-17/h1-2,5-10,12,15H,3-4,11,13H2
InChIKeyKDPQXDMLYOTOJZ-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.47
Rot. Bonds4

About 6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one

6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one (PubChem CID 171910398) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is 6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one.

Molecular Properties

Compound Name6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one
PubChem CID171910398
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC Name6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one
SMILESO=C(c1ccccn1)C1CCCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1
InChIInChI=1S/C20H18N2O5S/c23-19-9-6-14-12-16(7-8-18(14)27-19)28(25,26)22-11-3-4-15(13-22)20(24)17-5-1-2-10-21-17/h1-2,5-10,12,15H,3-4,11,13H2
InChIKeyKDPQXDMLYOTOJZ-UHFFFAOYSA-N
XLogP2.47
TPSA97.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 55560079
formic acid;6-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylchromen-2-one
CID 172910584
6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one
CID 62371698
6-[(3S)-3-aminopyrrolidin-1-yl]sulfonylchromen-2-one;hydrochloride
CID 119993407
[1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 131919418
6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one
CID 43556312
6-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]sulfonylchromen-2-one
CID 46972159
[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 124504662
N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide
CID 55914305
(3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide
CID 95525317
6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one
CID 1248585
6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one
CID 120714302

Frequently Asked Questions

What is the IUPAC name of 6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one?
The IUPAC name of 6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one (CID 171910398) is 6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one.
What is the SMILES notation for 6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one?
The canonical SMILES for 6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one is O=C(c1ccccn1)C1CCCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1.
What is the InChIKey of 6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one?
The InChIKey is KDPQXDMLYOTOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c23-19-9-6-14-12-16(7-8-18(14)27-19)28(25,26)22-11-3-4-15(13-22)20(24)17-5-1-2-10-21-17/h1-2,5-10,12,15H,3-4,11,13H2.
What are the key properties of 6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one?
6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one has a molecular weight of 398.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one is sourced from PubChem (CID 171910398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).