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

C23H27N5O3 — CID 24864198

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

1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one (PubChem CID 24864198) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one
• PubChem CID: 24864198
• Molecular Formula: C23H27N5O3
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.21
• IUPAC Name: 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one
• SMILES: O=c1ccc2ccncc2n1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1
• InChI: InChI=1S/C23H27N5O3/c29-23-2-1-17-3-6-24-15-20(17)28(23)10-9-27-7-4-18(5-8-27)25-14-19-13-21-22(16-26-19)31-12-11-30-21/h1-3,6,13,15-16,18,25H,4-5,7-12,14H2
• InChIKey: ZABFHUVIRPXGCZ-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 81.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one (CID 24864198) is 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one.

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

The canonical SMILES for 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one is O=c1ccc2ccncc2n1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1.

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

The InChIKey is ZABFHUVIRPXGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c29-23-2-1-17-3-6-24-15-20(17)28(23)10-9-27-7-4-18(5-8-27)25-14-19-13-21-22(16-26-19)31-12-11-30-21/h1-3,6,13,15-16,18,25H,4-5,7-12,14H2.

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

1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one has a molecular weight of 421.50 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one is sourced from PubChem (CID 24864198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).