[1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid

C18H23FN4O3 — CID 68994019

IUPAC[1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESCCc1c(F)cnc2ccc(=O)n(CCN3CCC(NC(=O)O)CC3)c12
InChIInChI=1S/C18H23FN4O3/c1-2-13-14(19)11-20-15-3-4-16(24)23(17(13)15)10-9-22-7-5-12(6-8-22)21-18(25)26/h3-4,11-12,21H,2,5-10H2,1H3,(H,25,26)
InChIKeyWFUKYJGOXWURCT-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.83
Rot. Bonds5

About [1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid

[1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 68994019) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is [1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
PubChem CID68994019
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name[1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESCCc1c(F)cnc2ccc(=O)n(CCN3CCC(NC(=O)O)CC3)c12
InChIInChI=1S/C18H23FN4O3/c1-2-13-14(19)11-20-15-3-4-16(24)23(17(13)15)10-9-22-7-5-12(6-8-22)21-18(25)26/h3-4,11-12,21H,2,5-10H2,1H3,(H,25,26)
InChIKeyWFUKYJGOXWURCT-UHFFFAOYSA-N
XLogP1.83
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-Fluoro-1-[2-[4-[[6-(trifluoromethyl)pyridin-3-yl]methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 44194469
methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate
CID 4070060
1-[1-[2-(7-Fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea
CID 118712939
N'-(4-Fluorophenyl)-N-[2-(4-methylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017547
Methyl N-{2-[4-(4-fluorophenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}carbamate
CID 3590288
1-Benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
CID 118713206
N-[2-(Diethylamino)ethyl]-N'-{2-[4-(4-fluorophenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}ethanediamide
CID 16017447
N-[2-(Dimethylamino)ethyl]-N'-{2-[4-(4-fluorophenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}ethanediamide
CID 16017451
5-[[[1-[2-(7-Fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
CID 90644099
2-Methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile
CID 90644102
5-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
CID 90644110
7-[[4-[6-(1-amino-2,2,2-trifluoroethyl)-3-pyridinyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 168295943

Frequently Asked Questions

What is the IUPAC name of [1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid (CID 68994019) is [1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid is CCc1c(F)cnc2ccc(=O)n(CCN3CCC(NC(=O)O)CC3)c12.
What is the InChIKey of [1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is WFUKYJGOXWURCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-2-13-14(19)11-20-15-3-4-16(24)23(17(13)15)10-9-22-7-5-12(6-8-22)21-18(25)26/h3-4,11-12,21H,2,5-10H2,1H3,(H,25,26).
What are the key properties of [1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
[1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 362.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68994019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).