methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate

C21H28N2O5 — CID 3384869

IUPACmethyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)c2cccc(C(=O)OC)c2)CC1
InChIInChI=1S/C21H28N2O5/c1-3-4-8-18-14-28-21(26)23(18)17-9-11-22(12-10-17)19(24)15-6-5-7-16(13-15)20(25)27-2/h5-7,13,17-18H,3-4,8-12,14H2,1-2H3
InChIKeyOEUCWFSTFWIVCY-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.09
Rot. Bonds6

About methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate

methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate (PubChem CID 3384869) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate
PubChem CID3384869
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Namemethyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)c2cccc(C(=O)OC)c2)CC1
InChIInChI=1S/C21H28N2O5/c1-3-4-8-18-14-28-21(26)23(18)17-9-11-22(12-10-17)19(24)15-6-5-7-16(13-15)20(25)27-2/h5-7,13,17-18H,3-4,8-12,14H2,1-2H3
InChIKeyOEUCWFSTFWIVCY-UHFFFAOYSA-N
XLogP3.09
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-butyl-1,3-oxazolidin-2-one
CID 5158542
3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-butyl-1,3-oxazolidin-2-one
CID 23879688
4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23939940
N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide
CID 3831963
3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 3861438
4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23819407
methyl 3-[4-(aminomethyl)piperidine-1-carbonyl]benzoate
CID 176515172
1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 23913506
dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate
CID 3869172
N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide
CID 3854247
3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 3643779
4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4686292

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate?
The IUPAC name of methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate (CID 3384869) is methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate.
What is the SMILES notation for methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate?
The canonical SMILES for methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate is CCCCC1COC(=O)N1C1CCN(C(=O)c2cccc(C(=O)OC)c2)CC1.
What is the InChIKey of methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate?
The InChIKey is OEUCWFSTFWIVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-3-4-8-18-14-28-21(26)23(18)17-9-11-22(12-10-17)19(24)15-6-5-7-16(13-15)20(25)27-2/h5-7,13,17-18H,3-4,8-12,14H2,1-2H3.
What are the key properties of methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate?
methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate has a molecular weight of 388.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 3384869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).