diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate

C24H32N2O4 — CID 70607637

IUPACdiethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(N2CCCCC2)N=C(C)C(C(=O)OCC)C1c1ccccc1C
InChIInChI=1S/C24H32N2O4/c1-5-29-23(27)19-17(4)25-22(26-14-10-7-11-15-26)21(24(28)30-6-2)20(19)18-13-9-8-12-16(18)3/h8-9,12-13,19-20H,5-7,10-11,14-15H2,1-4H3
InChIKeyYCEQOERXHJAKCC-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.99
Rot. Bonds6

About diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate

diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 70607637) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate
PubChem CID70607637
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Namediethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(N2CCCCC2)N=C(C)C(C(=O)OCC)C1c1ccccc1C
InChIInChI=1S/C24H32N2O4/c1-5-29-23(27)19-17(4)25-22(26-14-10-7-11-15-26)21(24(28)30-6-2)20(19)18-13-9-8-12-16(18)3/h8-9,12-13,19-20H,5-7,10-11,14-15H2,1-4H3
InChIKeyYCEQOERXHJAKCC-UHFFFAOYSA-N
XLogP3.99
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 4-(1-benzothiophen-3-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 90915735
ethyl 2,7-dimethyl-4-(2-methylphenyl)-5-oxo-3,4,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylate
CID 54550303
diethyl 4-(2,4-difluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 91937169
diethyl 2,6-dimethyl-4-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]-3,4-dihydropyridine-3,5-dicarboxylate
CID 54068366
ethyl (4R,5R)-4-(2-methoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 41455883
4-O-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-O,5-O-diethyl 2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate
CID 74686162
ethyl (4R,5S)-4-(2-methoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 41455884
diethyl (4S)-4-(4-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 7073063
diethyl 4-(2-fluoro-4-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 91062446
diethyl 4-(3-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 78478429
diethyl 6-(carbamimidoylsulfanylmethyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarboxylate
CID 57121536
ethyl 1-phenyl-3-pyrrolidin-1-yl-1H-indene-2-carboxylate
CID 100950990

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate (CID 70607637) is diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(N2CCCCC2)N=C(C)C(C(=O)OCC)C1c1ccccc1C.
What is the InChIKey of diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is YCEQOERXHJAKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-5-29-23(27)19-17(4)25-22(26-14-10-7-11-15-26)21(24(28)30-6-2)20(19)18-13-9-8-12-16(18)3/h8-9,12-13,19-20H,5-7,10-11,14-15H2,1-4H3.
What are the key properties of diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate?
diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 412.53 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-4-(2-methylphenyl)-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 70607637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).