ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate

C35H38N2O8 — CID 3409575

IUPACethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)o2)C(=O)CC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C35H38N2O8/c1-4-42-34(40)24-16-18-36(19-17-24)33(39)30-15-14-28(45-30)22-37-23(3)32(35(41)43-5-2)29(21-31(37)38)25-10-9-13-27(20-25)44-26-11-7-6-8-12-26/h6-15,20,24,29H,4-5,16-19,21-22H2,1-3H3
InChIKeyNWXXNSWBJQMVRD-UHFFFAOYSA-N
MW614.70 g/mol
LogP5.84
Rot. Bonds10

About ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate

ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate (PubChem CID 3409575) has the molecular formula C35H38N2O8 and a molecular weight of 614.70 g/mol. Its IUPAC name is ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
PubChem CID3409575
Molecular FormulaC35H38N2O8
Molecular Weight614.70 g/mol
Exact Mass614.26
IUPAC Nameethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)o2)C(=O)CC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C35H38N2O8/c1-4-42-34(40)24-16-18-36(19-17-24)33(39)30-15-14-28(45-30)22-37-23(3)32(35(41)43-5-2)29(21-31(37)38)25-10-9-13-27(20-25)44-26-11-7-6-8-12-26/h6-15,20,24,29H,4-5,16-19,21-22H2,1-3H3
InChIKeyNWXXNSWBJQMVRD-UHFFFAOYSA-N
XLogP5.84
TPSA115.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.70
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-methyl-2-oxo-4-phenyl-1-[[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 3900834
ethyl 1-[[5-(hexylcarbamoyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 4619626
ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42761434
ethyl (4R)-6-methyl-2-oxo-4-phenyl-1-[[5-(propylcarbamoyl)furan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 7440057
ethyl 1-[[3-(4-ethoxycarbonylpiperidine-1-carbonyl)phenyl]methyl]-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761105
ethyl 4-(3,4-dichlorophenyl)-1-[[4-(4-ethoxycarbonylpiperidine-1-carbonyl)phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 3906382
ethyl 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42764741
ethyl (4S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 93331639
prop-2-enyl 1-[(5-methoxycarbonylfuran-2-yl)methyl]-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854252
ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 4290824
ethyl 6-methyl-1-[[3-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 42761190
ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 5189071

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate (CID 3409575) is ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)o2)C(=O)CC1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate?
The InChIKey is NWXXNSWBJQMVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O8/c1-4-42-34(40)24-16-18-36(19-17-24)33(39)30-15-14-28(45-30)22-37-23(3)32(35(41)43-5-2)29(21-31(37)38)25-10-9-13-27(20-25)44-26-11-7-6-8-12-26/h6-15,20,24,29H,4-5,16-19,21-22H2,1-3H3.
What are the key properties of ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate?
ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate has a molecular weight of 614.70 g/mol, XLogP of 5.84, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 3409575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).