1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C11H19N3O4S — CID 168696646

IUPAC1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(N2CC(C(N)=O)CC2=O)CC1
InChIInChI=1S/C11H19N3O4S/c1-19(17,18)13-4-2-9(3-5-13)14-7-8(11(12)16)6-10(14)15/h8-9H,2-7H2,1H3,(H2,12,16)
InChIKeyAJQDMEUMBYFCIR-UHFFFAOYSA-N
MW289.36 g/mol
LogP-1.26
Rot. Bonds3

About 1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696646) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696646
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(N2CC(C(N)=O)CC2=O)CC1
InChIInChI=1S/C11H19N3O4S/c1-19(17,18)13-4-2-9(3-5-13)14-7-8(11(12)16)6-10(14)15/h8-9H,2-7H2,1H3,(H2,12,16)
InChIKeyAJQDMEUMBYFCIR-UHFFFAOYSA-N
XLogP-1.26
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one
CID 168699642
(3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94008544
1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696194
S-[1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705363
(3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94671849
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 168695572
1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1,4-diazepane-6-carboxamide
CID 110107391
1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 126899618
5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 126899644
1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 126899610
1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 126899571

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 168696646) is 1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is CS(=O)(=O)N1CCC(N2CC(C(N)=O)CC2=O)CC1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AJQDMEUMBYFCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-19(17,18)13-4-2-9(3-5-13)14-7-8(11(12)16)6-10(14)15/h8-9H,2-7H2,1H3,(H2,12,16).
What are the key properties of 1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of -1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).