ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate

C29H34N2O4 — CID 5207524

IUPACethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N3CCCCC3)cc2)C(=O)CC1c1cccc(C)c1
InChIInChI=1S/C29H34N2O4/c1-4-35-29(34)27-21(3)31(26(32)18-25(27)24-10-8-9-20(2)17-24)19-22-11-13-23(14-12-22)28(33)30-15-6-5-7-16-30/h8-14,17,25H,4-7,15-16,18-19H2,1-3H3
InChIKeyJKDOIHZAAQCNTC-UHFFFAOYSA-N
MW474.60 g/mol
LogP4.97
Rot. Bonds6

About ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate

ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate (PubChem CID 5207524) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
PubChem CID5207524
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Nameethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N3CCCCC3)cc2)C(=O)CC1c1cccc(C)c1
InChIInChI=1S/C29H34N2O4/c1-4-35-29(34)27-21(3)31(26(32)18-25(27)24-10-8-9-20(2)17-24)19-22-11-13-23(14-12-22)28(33)30-15-6-5-7-16-30/h8-14,17,25H,4-7,15-16,18-19H2,1-3H3
InChIKeyJKDOIHZAAQCNTC-UHFFFAOYSA-N
XLogP4.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate (CID 5207524) is ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N3CCCCC3)cc2)C(=O)CC1c1cccc(C)c1.
What is the InChIKey of ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate?
The InChIKey is JKDOIHZAAQCNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-4-35-29(34)27-21(3)31(26(32)18-25(27)24-10-8-9-20(2)17-24)19-22-11-13-23(14-12-22)28(33)30-15-6-5-7-16-30/h8-14,17,25H,4-7,15-16,18-19H2,1-3H3.
What are the key properties of ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate?
ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate has a molecular weight of 474.60 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 5207524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).