methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

C19H23ClN2O7 — CID 23881553

IUPACmethyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1COC(=O)N1C1CCN(C(=O)c2ccc(OC)c(OC)c2Cl)CC1
InChIInChI=1S/C19H23ClN2O7/c1-26-14-5-4-12(15(20)16(14)27-2)17(23)21-8-6-11(7-9-21)22-13(18(24)28-3)10-29-19(22)25/h4-5,11,13H,6-10H2,1-3H3/t13-/m1/s1
InChIKeySRMGBTJRJCOSHH-CYBMUJFWSA-N
MW426.85 g/mol
LogP1.96
Rot. Bonds5

About methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 23881553) has the molecular formula C19H23ClN2O7 and a molecular weight of 426.85 g/mol. Its IUPAC name is methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID23881553
Molecular FormulaC19H23ClN2O7
Molecular Weight426.85 g/mol
Exact Mass426.12
IUPAC Namemethyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1COC(=O)N1C1CCN(C(=O)c2ccc(OC)c(OC)c2Cl)CC1
InChIInChI=1S/C19H23ClN2O7/c1-26-14-5-4-12(15(20)16(14)27-2)17(23)21-8-6-11(7-9-21)22-13(18(24)28-3)10-29-19(22)25/h4-5,11,13H,6-10H2,1-3H3/t13-/m1/s1
InChIKeySRMGBTJRJCOSHH-CYBMUJFWSA-N
XLogP1.96
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.85
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

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Related Compounds

methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74225202
3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 3696328
methyl (4S)-3-[1-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74226831
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 3-[1-[2-(1H-indol-3-yl)-2-oxoacetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3685515
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
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
(8aR)-7-(2,3,4-trimethoxybenzoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 125177866
methyl 3-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3852671
3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160384
3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 3844213

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 23881553) is methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)[C@H]1COC(=O)N1C1CCN(C(=O)c2ccc(OC)c(OC)c2Cl)CC1.
What is the InChIKey of methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is SRMGBTJRJCOSHH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23ClN2O7/c1-26-14-5-4-12(15(20)16(14)27-2)17(23)21-8-6-11(7-9-21)22-13(18(24)28-3)10-29-19(22)25/h4-5,11,13H,6-10H2,1-3H3/t13-/m1/s1.
What are the key properties of methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 426.85 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 23881553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).