4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one

C16H22N4O2 — CID 91538286

IUPAC4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one
SMILESCOc1ccc2[nH]c(=O)cc(C(C)N3CCC(N)CC3)c2n1
InChIInChI=1S/C16H22N4O2/c1-10(20-7-5-11(17)6-8-20)12-9-14(21)18-13-3-4-15(22-2)19-16(12)13/h3-4,9-11H,5-8,17H2,1-2H3,(H,18,21)
InChIKeyAJHWUDPVWGLGSG-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.42
Rot. Bonds3

About 4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one

4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one (PubChem CID 91538286) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one
PubChem CID91538286
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one
SMILESCOc1ccc2[nH]c(=O)cc(C(C)N3CCC(N)CC3)c2n1
InChIInChI=1S/C16H22N4O2/c1-10(20-7-5-11(17)6-8-20)12-9-14(21)18-13-3-4-15(22-2)19-16(12)13/h3-4,9-11H,5-8,17H2,1-2H3,(H,18,21)
InChIKeyAJHWUDPVWGLGSG-UHFFFAOYSA-N
XLogP1.42
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one?
The IUPAC name of 4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one (CID 91538286) is 4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one is COc1ccc2[nH]c(=O)cc(C(C)N3CCC(N)CC3)c2n1.
What is the InChIKey of 4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one?
The InChIKey is AJHWUDPVWGLGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(20-7-5-11(17)6-8-20)12-9-14(21)18-13-3-4-15(22-2)19-16(12)13/h3-4,9-11H,5-8,17H2,1-2H3,(H,18,21).
What are the key properties of 4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one?
4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminopiperidin-1-yl)ethyl]-6-methoxy-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 91538286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).