[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone

C21H25N3O2 — CID 154994822

IUPAC[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/C21H25N3O2/c1-26-19-9-7-18(8-10-19)24-13-5-6-16-14-17(15-22-20(16)24)21(25)23-11-3-2-4-12-23/h7-10,14-15H,2-6,11-13H2,1H3
InChIKeyXHTXREIGWNNBTA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.80
Rot. Bonds3

About [8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone

[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone (PubChem CID 154994822) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is [8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
PubChem CID154994822
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/C21H25N3O2/c1-26-19-9-7-18(8-10-19)24-13-5-6-16-14-17(15-22-20(16)24)21(25)23-11-3-2-4-12-23/h7-10,14-15H,2-6,11-13H2,1H3
InChIKeyXHTXREIGWNNBTA-UHFFFAOYSA-N
XLogP3.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone (CID 154994822) is [8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone is COc1ccc(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)cc1.
What is the InChIKey of [8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is XHTXREIGWNNBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-26-19-9-7-18(8-10-19)24-13-5-6-16-14-17(15-22-20(16)24)21(25)23-11-3-2-4-12-23/h7-10,14-15H,2-6,11-13H2,1H3.
What are the key properties of [8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?
[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 351.45 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 154994822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).