N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide

C18H23N3O6S — CID 91630056

IUPACN-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC(CN2C(=O)COC2=O)c2ccccc2)CC1
InChIInChI=1S/C18H23N3O6S/c1-28(25,26)20-9-7-14(8-10-20)17(23)19-15(13-5-3-2-4-6-13)11-21-16(22)12-27-18(21)24/h2-6,14-15H,7-12H2,1H3,(H,19,23)
InChIKeyWGCKYVRPNFLSIM-UHFFFAOYSA-N
MW409.46 g/mol
LogP0.49
Rot. Bonds6

About N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 91630056) has the molecular formula C18H23N3O6S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID91630056
Molecular FormulaC18H23N3O6S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC NameN-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC(CN2C(=O)COC2=O)c2ccccc2)CC1
InChIInChI=1S/C18H23N3O6S/c1-28(25,26)20-9-7-14(8-10-20)17(23)19-15(13-5-3-2-4-6-13)11-21-16(22)12-27-18(21)24/h2-6,14-15H,7-12H2,1H3,(H,19,23)
InChIKeyWGCKYVRPNFLSIM-UHFFFAOYSA-N
XLogP0.49
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,2-diphenylacetamide
CID 100706719
N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 71856544
2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide
CID 100706838
N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide
CID 31977352
(E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide
CID 117055084
N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 100706732
N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]furan-2-carboxamide
CID 99999145
N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide
CID 114311037
1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92676349
1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
CID 30016105
1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110357434
N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 50944837

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 91630056) is N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC(CN2C(=O)COC2=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is WGCKYVRPNFLSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S/c1-28(25,26)20-9-7-14(8-10-20)17(23)19-15(13-5-3-2-4-6-13)11-21-16(22)12-27-18(21)24/h2-6,14-15H,7-12H2,1H3,(H,19,23).
What are the key properties of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 91630056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).