methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate

C12H20N2O5S — CID 22615687

IUPACmethyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C12H20N2O5S/c1-19-12(16)11-4-2-3-7-14(11)20(17,18)13-8-5-10(15)6-9-13/h11H,2-9H2,1H3
InChIKeyKKEPRZYNXMSYTK-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.08
Rot. Bonds3

About methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate

methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate (PubChem CID 22615687) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate
PubChem CID22615687
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Namemethyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C12H20N2O5S/c1-19-12(16)11-4-2-3-7-14(11)20(17,18)13-8-5-10(15)6-9-13/h11H,2-9H2,1H3
InChIKeyKKEPRZYNXMSYTK-UHFFFAOYSA-N
XLogP-0.08
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
CID 79830606
methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 43423409
methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate
CID 79829978
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025
methyl 4-(azepan-1-ylsulfonyl)morpholine-3-carboxylate
CID 115672152
methyl (2R)-1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79830884
methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79005471
methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate
CID 78953815
methyl (2R)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylate
CID 79836478
methyl 1-(azepan-1-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971403
ethyl (2R)-1-thiomorpholin-4-ylsulfonylpiperidine-2-carboxylate
CID 94810365
methyl (2R)-1-(3-methylbutylsulfonyl)piperidine-2-carboxylate
CID 79830883

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate?
The IUPAC name of methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate (CID 22615687) is methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate is COC(=O)C1CCCCN1S(=O)(=O)N1CCC(=O)CC1.
What is the InChIKey of methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate?
The InChIKey is KKEPRZYNXMSYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-19-12(16)11-4-2-3-7-14(11)20(17,18)13-8-5-10(15)6-9-13/h11H,2-9H2,1H3.
What are the key properties of methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate?
methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate has a molecular weight of 304.37 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 22615687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).