1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine

C24H29FN4O — CID 177378144

IUPAC1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc2ncc(F)c(CCN3CCC(NCc4ccc(C)cc4)CC3)c2n1
InChIInChI=1S/C24H29FN4O/c1-17-3-5-18(6-4-17)15-26-19-9-12-29(13-10-19)14-11-20-21(25)16-27-22-7-8-23(30-2)28-24(20)22/h3-8,16,19,26H,9-15H2,1-2H3
InChIKeyQMBIGGCLOHYBHN-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.88
Rot. Bonds7

About 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine

1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine (PubChem CID 177378144) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine
PubChem CID177378144
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc2ncc(F)c(CCN3CCC(NCc4ccc(C)cc4)CC3)c2n1
InChIInChI=1S/C24H29FN4O/c1-17-3-5-18(6-4-17)15-26-19-9-12-29(13-10-19)14-11-20-21(25)16-27-22-7-8-23(30-2)28-24(20)22/h3-8,16,19,26H,9-15H2,1-2H3
InChIKeyQMBIGGCLOHYBHN-UHFFFAOYSA-N
XLogP3.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine (CID 177378144) is 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine is COc1ccc2ncc(F)c(CCN3CCC(NCc4ccc(C)cc4)CC3)c2n1.
What is the InChIKey of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is QMBIGGCLOHYBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-17-3-5-18(6-4-17)15-26-19-9-12-29(13-10-19)14-11-20-21(25)16-27-22-7-8-23(30-2)28-24(20)22/h3-8,16,19,26H,9-15H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine?
1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine has a molecular weight of 408.52 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-[(4-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 177378144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).