methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate

C31H36Cl2N4O6 — CID 138735027

IUPACmethyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(Cl)c2Cl)c(OCc2ccc(OC)cc2)nc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C31H36Cl2N4O6/c1-30(2,3)43-29(39)36-31(4)14-16-37(17-15-31)26-25(28(38)41-6)34-24(21-8-7-9-22(32)23(21)33)27(35-26)42-18-19-10-12-20(40-5)13-11-19/h7-13H,14-18H2,1-6H3,(H,36,39)
InChIKeySCBRTPWPSRBFAD-UHFFFAOYSA-N
MW631.56 g/mol
LogP6.71
Rot. Bonds8

About methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate

methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate (PubChem CID 138735027) has the molecular formula C31H36Cl2N4O6 and a molecular weight of 631.56 g/mol. Its IUPAC name is methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate
PubChem CID138735027
Molecular FormulaC31H36Cl2N4O6
Molecular Weight631.56 g/mol
Exact Mass630.20
IUPAC Namemethyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(Cl)c2Cl)c(OCc2ccc(OC)cc2)nc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C31H36Cl2N4O6/c1-30(2,3)43-29(39)36-31(4)14-16-37(17-15-31)26-25(28(38)41-6)34-24(21-8-7-9-22(32)23(21)33)27(35-26)42-18-19-10-12-20(40-5)13-11-19/h7-13H,14-18H2,1-6H3,(H,36,39)
InChIKeySCBRTPWPSRBFAD-UHFFFAOYSA-N
XLogP6.71
TPSA112.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.56
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate (CID 138735027) is methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate is COC(=O)c1nc(-c2cccc(Cl)c2Cl)c(OCc2ccc(OC)cc2)nc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate?
The InChIKey is SCBRTPWPSRBFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36Cl2N4O6/c1-30(2,3)43-29(39)36-31(4)14-16-37(17-15-31)26-25(28(38)41-6)34-24(21-8-7-9-22(32)23(21)33)27(35-26)42-18-19-10-12-20(40-5)13-11-19/h7-13H,14-18H2,1-6H3,(H,36,39).
What are the key properties of methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate?
methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate has a molecular weight of 631.56 g/mol, XLogP of 6.71, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 138735027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).