ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate

C23H29N3O3 — CID 56855713

IUPACethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCc3c(cc(-c4ccccc4)c(=O)n3C)C2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-29-23(28)25-12-9-19(10-13-25)26-14-11-21-18(16-26)15-20(22(27)24(21)2)17-7-5-4-6-8-17/h4-8,15,19H,3,9-14,16H2,1-2H3
InChIKeyXIRYLIPHURAPTN-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.03
Rot. Bonds3

About ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate

ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate (PubChem CID 56855713) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate
PubChem CID56855713
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Nameethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCc3c(cc(-c4ccccc4)c(=O)n3C)C2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-29-23(28)25-12-9-19(10-13-25)26-14-11-21-18(16-26)15-20(22(27)24(21)2)17-7-5-4-6-8-17/h4-8,15,19H,3,9-14,16H2,1-2H3
InChIKeyXIRYLIPHURAPTN-UHFFFAOYSA-N
XLogP3.03
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26142170
ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
CID 26232987
ethyl 1-benzyl-5-(1-ethoxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26220369
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate
CID 74246241
ethyl 4-[4-(benzenesulfonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 1151828
ethyl 4-(9-hydroxy-7-pyridin-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)piperidine-1-carboxylate
CID 42276975
ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
CID 42196962
ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate
CID 42148156
ethyl 4-tritylpiperidine-1-carboxylate
CID 22911669
ethyl 4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidine-1-carboxylate
CID 119103137
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone
CID 119103450

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate (CID 56855713) is ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCc3c(cc(-c4ccccc4)c(=O)n3C)C2)CC1.
What is the InChIKey of ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate?
The InChIKey is XIRYLIPHURAPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-29-23(28)25-12-9-19(10-13-25)26-14-11-21-18(16-26)15-20(22(27)24(21)2)17-7-5-4-6-8-17/h4-8,15,19H,3,9-14,16H2,1-2H3.
What are the key properties of ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate?
ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 56855713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).