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

C20H27N3O5 — CID 3853279

IUPACmethyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCC(N2C(=O)OCC2C(C)C)CC1
InChIInChI=1S/C20H27N3O5/c1-13(2)17-12-28-20(26)23(17)14-8-10-22(11-9-14)19(25)21-16-7-5-4-6-15(16)18(24)27-3/h4-7,13-14,17H,8-12H2,1-3H3,(H,21,25)
InChIKeyNZTQICBGOHGMDX-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.95
Rot. Bonds4

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

methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate (PubChem CID 3853279) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate
PubChem CID3853279
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Namemethyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCC(N2C(=O)OCC2C(C)C)CC1
InChIInChI=1S/C20H27N3O5/c1-13(2)17-12-28-20(26)23(17)14-8-10-22(11-9-14)19(25)21-16-7-5-4-6-15(16)18(24)27-3/h4-7,13-14,17H,8-12H2,1-3H3,(H,21,25)
InChIKeyNZTQICBGOHGMDX-UHFFFAOYSA-N
XLogP2.95
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]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

ethyl 3-[1-[(2-methoxycarbonylphenyl)carbamoyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3811122
N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 3445891
dimethyl 5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzene-1,3-dicarboxylate
CID 3869172
methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate
CID 31015711
3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 4982859
3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 3464347
3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23939275
4-(4-butan-2-yl-2-oxo-1,3-oxazolidin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-1-carbothioamide
CID 4994095
methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 59740832
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate
CID 55536184
N-(5-chloro-2-methoxyphenyl)-4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 3850323
methyl 2-[[4-(4-ethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113112107

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate (CID 3853279) is methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)N1CCC(N2C(=O)OCC2C(C)C)CC1.
What is the InChIKey of methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate?
The InChIKey is NZTQICBGOHGMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-13(2)17-12-28-20(26)23(17)14-8-10-22(11-9-14)19(25)21-16-7-5-4-6-15(16)18(24)27-3/h4-7,13-14,17H,8-12H2,1-3H3,(H,21,25).
What are the key properties of methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate?
methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate has a molecular weight of 389.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 3853279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).