1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one

C17H23FN4O — CID 68810511

IUPAC1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one
SMILESCCc1c(F)cnc2ccc(=O)n(CCN3CCC(N)CC3)c12
InChIInChI=1S/C17H23FN4O/c1-2-13-14(18)11-20-15-3-4-16(23)22(17(13)15)10-9-21-7-5-12(19)6-8-21/h3-4,11-12H,2,5-10,19H2,1H3
InChIKeyBUJWPMKACYPJEH-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.52
Rot. Bonds4

About 1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one

1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one (PubChem CID 68810511) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one
PubChem CID68810511
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one
SMILESCCc1c(F)cnc2ccc(=O)n(CCN3CCC(N)CC3)c12
InChIInChI=1S/C17H23FN4O/c1-2-13-14(18)11-20-15-3-4-16(23)22(17(13)15)10-9-21-7-5-12(19)6-8-21/h3-4,11-12H,2,5-10,19H2,1H3
InChIKeyBUJWPMKACYPJEH-UHFFFAOYSA-N
XLogP1.52
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tagorizine
CID 6436051
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 34999665
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 45560756
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 45561234
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127027737
7-Fluoro-1-[2-[4-[[6-(trifluoromethyl)pyridin-3-yl]methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 44194469
1-[2-[4-[(5-Chloro-6-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 44194567
7-[4-(4-Methylpiperazin-1-yl)anilino]-1-propan-2-yl-1,5-naphthyridin-2-one
CID 44296095
1-[1-[2-(7-Fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea
CID 118712933
1-[1-[2-(7-Fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea
CID 118712939
4-(4,4-dimethylpiperidin-1-yl)-8-ethyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 168276628
N-(4-fluorophenyl)-1-[3-(4-pyridinyl)propanoyl]-3-piperidinamine
CID 24794121

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one (CID 68810511) is 1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one is CCc1c(F)cnc2ccc(=O)n(CCN3CCC(N)CC3)c12.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one?
The InChIKey is BUJWPMKACYPJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-2-13-14(18)11-20-15-3-4-16(23)22(17(13)15)10-9-21-7-5-12(19)6-8-21/h3-4,11-12H,2,5-10,19H2,1H3.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one?
1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one has a molecular weight of 318.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one is sourced from PubChem (CID 68810511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).