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

C24H24FN3O4 — CID 43996058

IUPACethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)C1
InChIInChI=1S/C24H24FN3O4/c1-2-32-24(31)18-6-4-12-27(15-18)22(29)20-13-17-5-3-11-26-21(17)28(23(20)30)14-16-7-9-19(25)10-8-16/h3,5,7-11,13,18H,2,4,6,12,14-15H2,1H3
InChIKeyUFTPMLRAEUMXBZ-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.00
Rot. Bonds5

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

ethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 43996058) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is ethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate
PubChem CID43996058
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Nameethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)C1
InChIInChI=1S/C24H24FN3O4/c1-2-32-24(31)18-6-4-12-27(15-18)22(29)20-13-17-5-3-11-26-21(17)28(23(20)30)14-16-7-9-19(25)10-8-16/h3,5,7-11,13,18H,2,4,6,12,14-15H2,1H3
InChIKeyUFTPMLRAEUMXBZ-UHFFFAOYSA-N
XLogP3.00
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate (CID 43996058) is ethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)C1.
What is the InChIKey of ethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is UFTPMLRAEUMXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-2-32-24(31)18-6-4-12-27(15-18)22(29)20-13-17-5-3-11-26-21(17)28(23(20)30)14-16-7-9-19(25)10-8-16/h3,5,7-11,13,18H,2,4,6,12,14-15H2,1H3.
What are the key properties of ethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate?
ethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 437.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 43996058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).