dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate

C25H27N3O7 — CID 3869172

IUPACdimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)N2CCC(N3C(=O)OCC3c3ccccc3)CC2)cc(C(=O)OC)c1
InChIInChI=1S/C25H27N3O7/c1-33-22(29)17-12-18(23(30)34-2)14-19(13-17)26-24(31)27-10-8-20(9-11-27)28-21(15-35-25(28)32)16-6-4-3-5-7-16/h3-7,12-14,20-21H,8-11,15H2,1-2H3,(H,26,31)
InChIKeyHYMZIRSHEIWRRV-UHFFFAOYSA-N
MW481.51 g/mol
LogP3.45
Rot. Bonds5

About dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate (PubChem CID 3869172) has the molecular formula C25H27N3O7 and a molecular weight of 481.51 g/mol. Its IUPAC name is dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate
PubChem CID3869172
Molecular FormulaC25H27N3O7
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC Namedimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)N2CCC(N3C(=O)OCC3c3ccccc3)CC2)cc(C(=O)OC)c1
InChIInChI=1S/C25H27N3O7/c1-33-22(29)17-12-18(23(30)34-2)14-19(13-17)26-24(31)27-10-8-20(9-11-27)28-21(15-35-25(28)32)16-6-4-3-5-7-16/h3-7,12-14,20-21H,8-11,15H2,1-2H3,(H,26,31)
InChIKeyHYMZIRSHEIWRRV-UHFFFAOYSA-N
XLogP3.45
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 74225372
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbothioamide
CID 3687517
methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate
CID 3853279
3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3842799
4-[2-oxo-2-[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 74228595
4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
CID 3486012
3-[1-[3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3775880
ethyl 3-[1-(naphthalen-2-ylcarbamoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3853921
ethyl 3-[1-[(2-methoxycarbonylphenyl)carbamoyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3811122
methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate
CID 3384869
3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3842713
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 3857414

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate (CID 3869172) is dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)N2CCC(N3C(=O)OCC3c3ccccc3)CC2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is HYMZIRSHEIWRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O7/c1-33-22(29)17-12-18(23(30)34-2)14-19(13-17)26-24(31)27-10-8-20(9-11-27)28-21(15-35-25(28)32)16-6-4-3-5-7-16/h3-7,12-14,20-21H,8-11,15H2,1-2H3,(H,26,31).
What are the key properties of dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 481.51 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 3869172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).