7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one

C22H24N4O2 — CID 146343516

IUPAC7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one
SMILESO=C1c2ncccc2CCN1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C22H24N4O2/c27-22-21-16(4-3-10-23-21)9-13-26(22)15-14-25-11-7-17(8-12-25)20-18-5-1-2-6-19(18)28-24-20/h1-6,10,17H,7-9,11-15H2
InChIKeyUIXJVQYWDHWJCD-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.10
Rot. Bonds4

About 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one

7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one (PubChem CID 146343516) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one
PubChem CID146343516
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one
SMILESO=C1c2ncccc2CCN1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C22H24N4O2/c27-22-21-16(4-3-10-23-21)9-13-26(22)15-14-25-11-7-17(8-12-25)20-18-5-1-2-6-19(18)28-24-20/h1-6,10,17H,7-9,11-15H2
InChIKeyUIXJVQYWDHWJCD-UHFFFAOYSA-N
XLogP3.10
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
The IUPAC name of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one (CID 146343516) is 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one is O=C1c2ncccc2CCN1CCN1CCC(c2noc3ccccc23)CC1.
What is the InChIKey of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
The InChIKey is UIXJVQYWDHWJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22-21-16(4-3-10-23-21)9-13-26(22)15-14-25-11-7-17(8-12-25)20-18-5-1-2-6-19(18)28-24-20/h1-6,10,17H,7-9,11-15H2.
What are the key properties of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one?
7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one has a molecular weight of 376.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 146343516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).