4-piperazin-1-yl-1H-1,8-naphthyridin-2-one

C12H14N4O — CID 69174819

IUPAC4-piperazin-1-yl-1H-1,8-naphthyridin-2-one
SMILESO=c1cc(N2CCNCC2)c2cccnc2[nH]1
InChIInChI=1S/C12H14N4O/c17-11-8-10(16-6-4-13-5-7-16)9-2-1-3-14-12(9)15-11/h1-3,8,13H,4-7H2,(H,14,15,17)
InChIKeyKRSDTPCLDUBMLX-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.33
Rot. Bonds1

About 4-piperazin-1-yl-1H-1,8-naphthyridin-2-one

4-piperazin-1-yl-1H-1,8-naphthyridin-2-one (PubChem CID 69174819) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-piperazin-1-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-piperazin-1-yl-1H-1,8-naphthyridin-2-one
PubChem CID69174819
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-piperazin-1-yl-1H-1,8-naphthyridin-2-one
SMILESO=c1cc(N2CCNCC2)c2cccnc2[nH]1
InChIInChI=1S/C12H14N4O/c17-11-8-10(16-6-4-13-5-7-16)9-2-1-3-14-12(9)15-11/h1-3,8,13H,4-7H2,(H,14,15,17)
InChIKeyKRSDTPCLDUBMLX-UHFFFAOYSA-N
XLogP0.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-piperazin-1-yl-1H-1,8-naphthyridin-2-one (CID 69174819) is 4-piperazin-1-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-piperazin-1-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-piperazin-1-yl-1H-1,8-naphthyridin-2-one is O=c1cc(N2CCNCC2)c2cccnc2[nH]1.
What is the InChIKey of 4-piperazin-1-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is KRSDTPCLDUBMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-11-8-10(16-6-4-13-5-7-16)9-2-1-3-14-12(9)15-11/h1-3,8,13H,4-7H2,(H,14,15,17).
What are the key properties of 4-piperazin-1-yl-1H-1,8-naphthyridin-2-one?
4-piperazin-1-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 230.27 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 69174819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).