1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one

C40H51N9O4 — CID 157282803

About 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one

1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one (PubChem CID 157282803) has the molecular formula C40H51N9O4 and a molecular weight of 721.91 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one
• PubChem CID: 157282803
• Molecular Formula: C40H51N9O4
• Molecular Weight: 721.91 g/mol
• Exact Mass: 721.41
• IUPAC Name: 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one
• SMILES: Cc1ccc2ccc(=O)n(CCN3CCC(N)CC3)c2n1.Cc1ccc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1
• InChI: InChI=1S/C24H29N5O3.C16H22N4O/c1-17-2-3-18-4-5-23(30)29(24(18)27-17)11-10-28-8-6-19(7-9-28)25-15-20-14-21-22(16-26-20)32-13-12-31-21;1-12-2-3-13-4-5-15(21)20(16(13)18-12)11-10-19-8-6-14(17)7-9-19/h2-5,14,16,19,25H,6-13,15H2,1H3;2-5,14H,6-11,17H2,1H3
• InChIKey: AZWDBKBTDLBIQD-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 145.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.91
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one?

The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one (CID 157282803) is 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one.

What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one?

The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one is Cc1ccc2ccc(=O)n(CCN3CCC(N)CC3)c2n1.Cc1ccc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.

What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one?

The InChIKey is AZWDBKBTDLBIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3.C16H22N4O/c1-17-2-3-18-4-5-23(30)29(24(18)27-17)11-10-28-8-6-19(7-9-28)25-15-20-14-21-22(16-26-20)32-13-12-31-21;1-12-2-3-13-4-5-15(21)20(16(13)18-12)11-10-19-8-6-14(17)7-9-19/h2-5,14,16,19,25H,6-13,15H2,1H3;2-5,14H,6-11,17H2,1H3.

What are the key properties of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one?

1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one has a molecular weight of 721.91 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 157282803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).