1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one

C23H27FN4O — CID 24866874

IUPAC1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one
SMILESCc1ccc(CNC2CCN(CCn3c(=O)ccc4ccncc43)CC2)cc1F
InChIInChI=1S/C23H27FN4O/c1-17-2-3-18(14-21(17)24)15-26-20-7-10-27(11-8-20)12-13-28-22-16-25-9-6-19(22)4-5-23(28)29/h2-6,9,14,16,20,26H,7-8,10-13,15H2,1H3
InChIKeyXEOOOBPMVKOKFI-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.10
Rot. Bonds6

About 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one

1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one (PubChem CID 24866874) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one
PubChem CID24866874
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one
SMILESCc1ccc(CNC2CCN(CCn3c(=O)ccc4ccncc43)CC2)cc1F
InChIInChI=1S/C23H27FN4O/c1-17-2-3-18(14-21(17)24)15-26-20-7-10-27(11-8-20)12-13-28-22-16-25-9-6-19(22)4-5-23(28)29/h2-6,9,14,16,20,26H,7-8,10-13,15H2,1H3
InChIKeyXEOOOBPMVKOKFI-UHFFFAOYSA-N
XLogP3.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one (CID 24866874) is 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one is Cc1ccc(CNC2CCN(CCn3c(=O)ccc4ccncc43)CC2)cc1F.
What is the InChIKey of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one?
The InChIKey is XEOOOBPMVKOKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-17-2-3-18(14-21(17)24)15-26-20-7-10-27(11-8-20)12-13-28-22-16-25-9-6-19(22)4-5-23(28)29/h2-6,9,14,16,20,26H,7-8,10-13,15H2,1H3.
What are the key properties of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one?
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one has a molecular weight of 394.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one is sourced from PubChem (CID 24866874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).