4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate

C56H53ClF2N6O6 — CID 160939436

IUPAC4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(Cl)c(-c3ccc(F)cc3)nc2c1.COC(=O)c1ccc2nc(N3CCC(c4ccc(OC)cc4)CC3)c(-c3ccc(F)cc3)nc2c1.COc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C28H26FN3O3.C16H10ClFN2O2.C12H17NO/c1-34-23-10-5-18(6-11-23)19-13-15-32(16-14-19)27-26(20-3-8-22(29)9-4-20)30-25-17-21(28(33)35-2)7-12-24(25)31-27;1-22-16(21)10-4-7-12-13(8-10)19-14(15(17)20-12)9-2-5-11(18)6-3-9;1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h3-12,17,19H,13-16H2,1-2H3;2-8H,1H3;2-5,11,13H,6-9H2,1H3
InChIKeySUHTZVVNPQQYFW-UHFFFAOYSA-N
MW979.52 g/mol
LogP11.65
Rot. Bonds9

About 4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate

4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate (PubChem CID 160939436) has the molecular formula C56H53ClF2N6O6 and a molecular weight of 979.52 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate.

Molecular Properties

Compound Name4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate
PubChem CID160939436
Molecular FormulaC56H53ClF2N6O6
Molecular Weight979.52 g/mol
Exact Mass978.37
IUPAC Name4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(Cl)c(-c3ccc(F)cc3)nc2c1.COC(=O)c1ccc2nc(N3CCC(c4ccc(OC)cc4)CC3)c(-c3ccc(F)cc3)nc2c1.COc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C28H26FN3O3.C16H10ClFN2O2.C12H17NO/c1-34-23-10-5-18(6-11-23)19-13-15-32(16-14-19)27-26(20-3-8-22(29)9-4-20)30-25-17-21(28(33)35-2)7-12-24(25)31-27;1-22-16(21)10-4-7-12-13(8-10)19-14(15(17)20-12)9-2-5-11(18)6-3-9;1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h3-12,17,19H,13-16H2,1-2H3;2-8H,1H3;2-5,11,13H,6-9H2,1H3
InChIKeySUHTZVVNPQQYFW-UHFFFAOYSA-N
XLogP11.65
TPSA137.89 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.52
LogP ≤ 511.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate with MolForge

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Related Compounds

methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate
CID 70664630
sodium;deuterio(fluoro)methane;4-(4-ethylphenyl)piperidine;methane;methanol;3-[4-(4-methoxyphenyl)piperidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-(4-methoxyphenyl)piperidin-1-yl]-2-phenylquinoxaline-6-carboxylate;hydroxide
CID 157363779
sodium;azepane;3-(azepan-1-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;butyl 3-(azepan-1-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;hydroxide
CID 159855574
methyl 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylate
CID 67041720
methyl 3-(4-methylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041699
methyl 2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylate
CID 77451457
methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
CID 67042135
methyl 3-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 141344541
3-(4-fluorophenyl)-2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]quinoline-6-carboxylic acid
CID 141344633
methyl 3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]-2-phenylquinoxaline-6-carboxylate;3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid
CID 161211896
methyl 3-(4-methylsulfonylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67042359
methyl 2-(4-fluorophenyl)-3-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]quinoxaline-6-carboxylate
CID 70665039

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate?
The IUPAC name of 4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate (CID 160939436) is 4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate.
What is the SMILES notation for 4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate?
The canonical SMILES for 4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(Cl)c(-c3ccc(F)cc3)nc2c1.COC(=O)c1ccc2nc(N3CCC(c4ccc(OC)cc4)CC3)c(-c3ccc(F)cc3)nc2c1.COc1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate?
The InChIKey is SUHTZVVNPQQYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O3.C16H10ClFN2O2.C12H17NO/c1-34-23-10-5-18(6-11-23)19-13-15-32(16-14-19)27-26(20-3-8-22(29)9-4-20)30-25-17-21(28(33)35-2)7-12-24(25)31-27;1-22-16(21)10-4-7-12-13(8-10)19-14(15(17)20-12)9-2-5-11(18)6-3-9;1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h3-12,17,19H,13-16H2,1-2H3;2-8H,1H3;2-5,11,13H,6-9H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate?
4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate has a molecular weight of 979.52 g/mol, XLogP of 11.65, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate is sourced from PubChem (CID 160939436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).