1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one

C15H23N3O3S — CID 166239396

IUPAC1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1CC1CCNCC1
InChIInChI=1S/C15H23N3O3S/c19-15-4-3-14(22(20,21)18-9-1-2-10-18)12-17(15)11-13-5-7-16-8-6-13/h3-4,12-13,16H,1-2,5-11H2
InChIKeyGWDDYLJVHQMUQT-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.63
Rot. Bonds4

About 1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one

1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 166239396) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID166239396
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1CC1CCNCC1
InChIInChI=1S/C15H23N3O3S/c19-15-4-3-14(22(20,21)18-9-1-2-10-18)12-17(15)11-13-5-7-16-8-6-13/h3-4,12-13,16H,1-2,5-11H2
InChIKeyGWDDYLJVHQMUQT-UHFFFAOYSA-N
XLogP0.63
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 9193543
ethyl 1-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)methyl]piperidin-1-ium-4-carboxylate
CID 9281893
5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
CID 53170573
1-(3,4-dichlorophenyl)sulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119929370
N,N-diethyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170602
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789
N-cycloheptyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 9267746
1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 9285878
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 9183833
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119929368
1-[2-(4-methylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 30343739

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 166239396) is 1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one is O=c1ccc(S(=O)(=O)N2CCCC2)cn1CC1CCNCC1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is GWDDYLJVHQMUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c19-15-4-3-14(22(20,21)18-9-1-2-10-18)12-17(15)11-13-5-7-16-8-6-13/h3-4,12-13,16H,1-2,5-11H2.
What are the key properties of 1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 325.43 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 166239396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).