[2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

C16H21N3O7S — CID 46659229

IUPAC[2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)OCC(=O)NC(N)=O)C2)cc1
InChIInChI=1S/C16H21N3O7S/c1-25-12-4-6-13(7-5-12)27(23,24)19-8-2-3-11(9-19)15(21)26-10-14(20)18-16(17)22/h4-7,11H,2-3,8-10H2,1H3,(H3,17,18,20,22)
InChIKeyICAWVNJEVTURJC-UHFFFAOYSA-N
MW399.43 g/mol
LogP-0.17
Rot. Bonds6

About [2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

[2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate (PubChem CID 46659229) has the molecular formula C16H21N3O7S and a molecular weight of 399.43 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
PubChem CID46659229
Molecular FormulaC16H21N3O7S
Molecular Weight399.43 g/mol
Exact Mass399.11
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)OCC(=O)NC(N)=O)C2)cc1
InChIInChI=1S/C16H21N3O7S/c1-25-12-4-6-13(7-5-12)27(23,24)19-8-2-3-11(9-19)15(21)26-10-14(20)18-16(17)22/h4-7,11H,2-3,8-10H2,1H3,(H3,17,18,20,22)
InChIKeyICAWVNJEVTURJC-UHFFFAOYSA-N
XLogP-0.17
TPSA145.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
[2-(2-chloroanilino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 55427836
(3R)-N-(2-amino-2-oxoethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9297102
(4-methylsulfanylphenyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 46659336
(cyclohexylamino) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 87924630
(3R)-1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 9207700
methyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40899596
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 9302223
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049470

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate (CID 46659229) is [2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate is COc1ccc(S(=O)(=O)N2CCCC(C(=O)OCC(=O)NC(N)=O)C2)cc1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
The InChIKey is ICAWVNJEVTURJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O7S/c1-25-12-4-6-13(7-5-12)27(23,24)19-8-2-3-11(9-19)15(21)26-10-14(20)18-16(17)22/h4-7,11H,2-3,8-10H2,1H3,(H3,17,18,20,22).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate?
[2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate has a molecular weight of 399.43 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 46659229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).