methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate

C23H22FN3O4 — CID 43996059

IUPACmethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C23H22FN3O4/c1-31-23(30)16-8-11-26(12-9-16)21(28)19-13-17-3-2-10-25-20(17)27(22(19)29)14-15-4-6-18(24)7-5-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3
InChIKeyVZCWNDKIAFQBGM-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.61
Rot. Bonds4

About methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate

methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate (PubChem CID 43996059) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
PubChem CID43996059
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Namemethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C23H22FN3O4/c1-31-23(30)16-8-11-26(12-9-16)21(28)19-13-17-3-2-10-25-20(17)27(22(19)29)14-15-4-6-18(24)7-5-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3
InChIKeyVZCWNDKIAFQBGM-UHFFFAOYSA-N
XLogP2.61
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate with MolForge

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Related Compounds

methyl 1-[1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 7620374
methyl 1-[1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 43996244
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629
3-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620640
3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620362
1-[(4-fluorophenyl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620734
N-tert-butyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620678
3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 43996144
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743
1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620369
3-(2,3-dihydroindole-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620765
1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620050

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate (CID 43996059) is methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is VZCWNDKIAFQBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4/c1-31-23(30)16-8-11-26(12-9-16)21(28)19-13-17-3-2-10-25-20(17)27(22(19)29)14-15-4-6-18(24)7-5-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3.
What are the key properties of methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate?
methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 423.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 43996059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).