methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

C16H19ClN2O6S — CID 74225202

IUPACmethyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(=O)N1C1CCN(C(=O)c2csc(Cl)c2OC)CC1
InChIInChI=1S/C16H19ClN2O6S/c1-23-12-10(8-26-13(12)17)14(20)18-5-3-9(4-6-18)19-11(15(21)24-2)7-25-16(19)22/h8-9,11H,3-7H2,1-2H3/t11-/m0/s1
InChIKeyQJMDTFXYTLQVJF-NSHDSACASA-N
MW402.86 g/mol
LogP2.01
Rot. Bonds4

About methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 74225202) has the molecular formula C16H19ClN2O6S and a molecular weight of 402.86 g/mol. Its IUPAC name is methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID74225202
Molecular FormulaC16H19ClN2O6S
Molecular Weight402.86 g/mol
Exact Mass402.07
IUPAC Namemethyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(=O)N1C1CCN(C(=O)c2csc(Cl)c2OC)CC1
InChIInChI=1S/C16H19ClN2O6S/c1-23-12-10(8-26-13(12)17)14(20)18-5-3-9(4-6-18)19-11(15(21)24-2)7-25-16(19)22/h8-9,11H,3-7H2,1-2H3/t11-/m0/s1
InChIKeyQJMDTFXYTLQVJF-NSHDSACASA-N
XLogP2.01
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

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Related Compounds

methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 23881553
methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 23941107
methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3578928
methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 23732408
methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3864373
methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3518759
methyl (4S)-3-[1-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74226831
ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3816107
methyl 3-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3852671
ethyl (4S)-3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74226224
ethyl 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3805310
ethyl 3-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 4513296

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 74225202) is methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)[C@@H]1COC(=O)N1C1CCN(C(=O)c2csc(Cl)c2OC)CC1.
What is the InChIKey of methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is QJMDTFXYTLQVJF-NSHDSACASA-N. The full InChI is InChI=1S/C16H19ClN2O6S/c1-23-12-10(8-26-13(12)17)14(20)18-5-3-9(4-6-18)19-11(15(21)24-2)7-25-16(19)22/h8-9,11H,3-7H2,1-2H3/t11-/m0/s1.
What are the key properties of methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 402.86 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 74225202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).