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

C22H24N4O2 — CID 146343643

IUPAC6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2cccnc2CCN1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C22H24N4O2/c27-22-17-5-3-10-23-19(17)9-13-26(22)15-14-25-11-7-16(8-12-25)21-18-4-1-2-6-20(18)28-24-21/h1-6,10,16H,7-9,11-15H2
InChIKeyDCUSPAKRQWQEKK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.10
Rot. Bonds4

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

6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 146343643) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID146343643
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2cccnc2CCN1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C22H24N4O2/c27-22-17-5-3-10-23-19(17)9-13-26(22)15-14-25-11-7-16(8-12-25)21-18-4-1-2-6-20(18)28-24-21/h1-6,10,16H,7-9,11-15H2
InChIKeyDCUSPAKRQWQEKK-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 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 146343643) is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one is O=C1c2cccnc2CCN1CCN1CCC(c2noc3ccccc23)CC1.
What is the InChIKey of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is DCUSPAKRQWQEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22-17-5-3-10-23-19(17)9-13-26(22)15-14-25-11-7-16(8-12-25)21-18-4-1-2-6-20(18)28-24-21/h1-6,10,16H,7-9,11-15H2.
What are the key properties of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-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 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 146343643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).