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

C23H26N4O2 — CID 146641086

IUPAC2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one
SMILESCc1nccc2c1C(=O)N(CCN1CCC(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C23H26N4O2/c1-16-21-17(6-10-24-16)9-13-27(23(21)28)15-14-26-11-7-18(8-12-26)22-19-4-2-3-5-20(19)29-25-22/h2-6,10,18H,7-9,11-15H2,1H3
InChIKeyFFZUWXZVFRDGLT-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.41
Rot. Bonds4

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

2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one (PubChem CID 146641086) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one
PubChem CID146641086
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one
SMILESCc1nccc2c1C(=O)N(CCN1CCC(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C23H26N4O2/c1-16-21-17(6-10-24-16)9-13-27(23(21)28)15-14-26-11-7-18(8-12-26)22-19-4-2-3-5-20(19)29-25-22/h2-6,10,18H,7-9,11-15H2,1H3
InChIKeyFFZUWXZVFRDGLT-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one?
The IUPAC name of 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one (CID 146641086) is 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one is Cc1nccc2c1C(=O)N(CCN1CCC(c3noc4ccccc34)CC1)CC2.
What is the InChIKey of 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one?
The InChIKey is FFZUWXZVFRDGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-21-17(6-10-24-16)9-13-27(23(21)28)15-14-26-11-7-18(8-12-26)22-19-4-2-3-5-20(19)29-25-22/h2-6,10,18H,7-9,11-15H2,1H3.
What are the key properties of 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one?
2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one has a molecular weight of 390.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-8-methyl-3,4-dihydro-2,7-naphthyridin-1-one is sourced from PubChem (CID 146641086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).