6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one

C21H20FN3O2 — CID 92572228

IUPAC6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
SMILESO=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cc3cccnc3c(=O)[nH]2)C1
InChIInChI=1S/C21H20FN3O2/c22-17-7-5-14(6-8-17)11-19(26)25-10-2-4-16(13-25)18-12-15-3-1-9-23-20(15)21(27)24-18/h1,3,5-9,12,16H,2,4,10-11,13H2,(H,24,27)/t16-/m1/s1
InChIKeyVPCXQXBRFZKLOF-MRXNPFEDSA-N
MW365.41 g/mol
LogP3.01
Rot. Bonds3

About 6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one

6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one (PubChem CID 92572228) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
PubChem CID92572228
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
SMILESO=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cc3cccnc3c(=O)[nH]2)C1
InChIInChI=1S/C21H20FN3O2/c22-17-7-5-14(6-8-17)11-19(26)25-10-2-4-16(13-25)18-12-15-3-1-9-23-20(15)21(27)24-18/h1,3,5-9,12,16H,2,4,10-11,13H2,(H,24,27)/t16-/m1/s1
InChIKeyVPCXQXBRFZKLOF-MRXNPFEDSA-N
XLogP3.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088564
6-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
CID 92596179
1-[3-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113088771
6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115116
6-[1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
CID 110224900
6-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-7H-1,7-naphthyridin-8-one
CID 92572249
3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 95809940
2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92607320
2-(3-fluoro-4-methoxyphenyl)-1-[(3S)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 92597487
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809788
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one?
The IUPAC name of 6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one (CID 92572228) is 6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one.
What is the SMILES notation for 6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one?
The canonical SMILES for 6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one is O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cc3cccnc3c(=O)[nH]2)C1.
What is the InChIKey of 6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one?
The InChIKey is VPCXQXBRFZKLOF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-17-7-5-14(6-8-17)11-19(26)25-10-2-4-16(13-25)18-12-15-3-1-9-23-20(15)21(27)24-18/h1,3,5-9,12,16H,2,4,10-11,13H2,(H,24,27)/t16-/m1/s1.
What are the key properties of 6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one?
6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one has a molecular weight of 365.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one is sourced from PubChem (CID 92572228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).