[2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate

C15H19N3O6S — CID 18285375

IUPAC[2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
SMILESNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19N3O6S/c16-15(21)17-13(19)10-24-14(20)11-6-8-18(9-7-11)25(22,23)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H3,16,17,19,21)
InChIKeyZZGXRJNVOWREOQ-UHFFFAOYSA-N
MW369.40 g/mol
LogP-0.17
Rot. Bonds5

About [2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate

[2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate (PubChem CID 18285375) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
PubChem CID18285375
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
SMILESNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19N3O6S/c16-15(21)17-13(19)10-24-14(20)11-6-8-18(9-7-11)25(22,23)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H3,16,17,19,21)
InChIKeyZZGXRJNVOWREOQ-UHFFFAOYSA-N
XLogP-0.17
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 18208902
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 41036184
prop-2-ynyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 51173015
[2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 46659229
[2-(2-acetylanilino)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150970
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 41036130
2-(2,6-dichlorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 30511430
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049470
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 55641194
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 4841395
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] cyclohexanecarboxylate
CID 4036102
2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 24685401

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate (CID 18285375) is [2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate is NC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate?
The InChIKey is ZZGXRJNVOWREOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S/c16-15(21)17-13(19)10-24-14(20)11-6-8-18(9-7-11)25(22,23)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H3,16,17,19,21).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate?
[2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate has a molecular weight of 369.40 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate is sourced from PubChem (CID 18285375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).