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

C23H26N4O2 — CID 146343543

IUPAC7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5-methyl-5,6-dihydro-1,7-naphthyridin-8-one
SMILESCC1CN(CCN2CCC(c3noc4ccccc34)CC2)C(=O)c2ncccc21
InChIInChI=1S/C23H26N4O2/c1-16-15-27(23(28)22-18(16)6-4-10-24-22)14-13-26-11-8-17(9-12-26)21-19-5-2-3-7-20(19)29-25-21/h2-7,10,16-17H,8-9,11-15H2,1H3
InChIKeyHFWNGFIHHPNYEM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.66
Rot. Bonds4

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

7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5-methyl-5,6-dihydro-1,7-naphthyridin-8-one (PubChem CID 146343543) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5-methyl-5,6-dihydro-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5-methyl-5,6-dihydro-1,7-naphthyridin-8-one
PubChem CID146343543
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5-methyl-5,6-dihydro-1,7-naphthyridin-8-one
SMILESCC1CN(CCN2CCC(c3noc4ccccc34)CC2)C(=O)c2ncccc21
InChIInChI=1S/C23H26N4O2/c1-16-15-27(23(28)22-18(16)6-4-10-24-22)14-13-26-11-8-17(9-12-26)21-19-5-2-3-7-20(19)29-25-21/h2-7,10,16-17H,8-9,11-15H2,1H3
InChIKeyHFWNGFIHHPNYEM-UHFFFAOYSA-N
XLogP3.66
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.66
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-methyl-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-methyl-5,6-dihydro-1,7-naphthyridin-8-one (CID 146343543) is 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5-methyl-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-methyl-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-methyl-5,6-dihydro-1,7-naphthyridin-8-one is CC1CN(CCN2CCC(c3noc4ccccc34)CC2)C(=O)c2ncccc21.
What is the InChIKey of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5-methyl-5,6-dihydro-1,7-naphthyridin-8-one?
The InChIKey is HFWNGFIHHPNYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-15-27(23(28)22-18(16)6-4-10-24-22)14-13-26-11-8-17(9-12-26)21-19-5-2-3-7-20(19)29-25-21/h2-7,10,16-17H,8-9,11-15H2,1H3.
What are the key properties of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5-methyl-5,6-dihydro-1,7-naphthyridin-8-one?
7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5-methyl-5,6-dihydro-1,7-naphthyridin-8-one has a molecular weight of 390.49 g/mol, XLogP of 3.66, 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-methyl-5,6-dihydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 146343543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).