methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

C19H22FN3O6 — CID 5154958

IUPACmethyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2cc(F)ccc2NC(C)=O)CC1
InChIInChI=1S/C19H22FN3O6/c1-11(24)21-15-4-3-12(20)9-14(15)17(25)22-7-5-13(6-8-22)23-16(18(26)28-2)10-29-19(23)27/h3-4,9,13,16H,5-8,10H2,1-2H3,(H,21,24)
InChIKeyHLWHZRBBDKHBSD-UHFFFAOYSA-N
MW407.40 g/mol
LogP1.38
Rot. Bonds4

About methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 5154958) has the molecular formula C19H22FN3O6 and a molecular weight of 407.40 g/mol. Its IUPAC name is methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID5154958
Molecular FormulaC19H22FN3O6
Molecular Weight407.40 g/mol
Exact Mass407.15
IUPAC Namemethyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2cc(F)ccc2NC(C)=O)CC1
InChIInChI=1S/C19H22FN3O6/c1-11(24)21-15-4-3-12(20)9-14(15)17(25)22-7-5-13(6-8-22)23-16(18(26)28-2)10-29-19(23)27/h3-4,9,13,16H,5-8,10H2,1-2H3,(H,21,24)
InChIKeyHLWHZRBBDKHBSD-UHFFFAOYSA-N
XLogP1.38
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

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Related Compounds

2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
Ethyl 4-{[2-(acetylamino)phenyl]carbonyl}piperazine-1-carboxylate
CID 742027
2-[(4-fluorobenzoyl)amino]-N-(3-morpholinopropyl)benzamide
CID 2812996
Butyl 2-(4-morpholinylcarbonyl)phenylcarbamate
CID 2175702
2-[(Morpholin-4-ylacetyl)amino]benzamide
CID 717339
methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate
CID 747969
Ethyl 1-{[2-(acetylamino)phenyl]carbonyl}piperidine-4-carboxylate
CID 869427
butyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 2299142
2-(Benzoylamino)-N~1~-[2-methyl-1-(morpholinocarbonyl)butyl]benzamide
CID 2929278
2-ethoxy-N-[2-(4-morpholinylcarbonyl)phenyl]acetamide
CID 2985490
Methyl 2-({2-[(4-methylbenzoyl)amino]benzoyl}amino)butanoate
CID 4411175
2,4-difluoro-N-(2-{[(3-morpholinopropyl)amino]carbonyl}phenyl)benzamide
CID 2812995

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 5154958) is methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)C1COC(=O)N1C1CCN(C(=O)c2cc(F)ccc2NC(C)=O)CC1.
What is the InChIKey of methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is HLWHZRBBDKHBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O6/c1-11(24)21-15-4-3-12(20)9-14(15)17(25)22-7-5-13(6-8-22)23-16(18(26)28-2)10-29-19(23)27/h3-4,9,13,16H,5-8,10H2,1-2H3,(H,21,24).
What are the key properties of methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 407.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 5154958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).