ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate

C18H22N2O4 — CID 3857415

IUPACethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
SMILESC=COC(=O)N1CCC(N2C(=O)OCC2Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2O4/c1-2-23-17(21)19-10-8-15(9-11-19)20-16(13-24-18(20)22)12-14-6-4-3-5-7-14/h2-7,15-16H,1,8-13H2
InChIKeyDIZCVMGZLQFLHY-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.79
Rot. Bonds4

About ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate

ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate (PubChem CID 3857415) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
PubChem CID3857415
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nameethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
SMILESC=COC(=O)N1CCC(N2C(=O)OCC2Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2O4/c1-2-23-17(21)19-10-8-15(9-11-19)20-16(13-24-18(20)22)12-14-6-4-3-5-7-14/h2-7,15-16H,1,8-13H2
InChIKeyDIZCVMGZLQFLHY-UHFFFAOYSA-N
XLogP2.79
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-benzyl-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23991572
N-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide
CID 3573998
methyl 2-[[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]acetate
CID 3697585
4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3712584
N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide
CID 3854247
2-[4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide
CID 23904126
4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3766970
4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3873723
4-benzyl-3-[1-[2-[4-(furan-2-yl)pyrimidin-2-yl]sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3758363
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
CID 74227910
4-benzyl-3-[1-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3768484

Frequently Asked Questions

What is the IUPAC name of ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The IUPAC name of ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate (CID 3857415) is ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate is C=COC(=O)N1CCC(N2C(=O)OCC2Cc2ccccc2)CC1.
What is the InChIKey of ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The InChIKey is DIZCVMGZLQFLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-23-17(21)19-10-8-15(9-11-19)20-16(13-24-18(20)22)12-14-6-4-3-5-7-14/h2-7,15-16H,1,8-13H2.
What are the key properties of ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 3857415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).