7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one

C15H20N4O2 — CID 21073478

IUPAC7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCN3CCNCC3)nc2[nH]1
InChIInChI=1S/C15H20N4O2/c20-13-4-2-12-3-5-14(18-15(12)17-13)21-11-1-8-19-9-6-16-7-10-19/h2-5,16H,1,6-11H2,(H,17,18,20)
InChIKeyJWLIAKAMPKUVMA-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.60
Rot. Bonds5

About 7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one

7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one (PubChem CID 21073478) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one
PubChem CID21073478
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCN3CCNCC3)nc2[nH]1
InChIInChI=1S/C15H20N4O2/c20-13-4-2-12-3-5-14(18-15(12)17-13)21-11-1-8-19-9-6-16-7-10-19/h2-5,16H,1,6-11H2,(H,17,18,20)
InChIKeyJWLIAKAMPKUVMA-UHFFFAOYSA-N
XLogP0.60
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-piperazin-1-ylpropoxy)quinoline
CID 123227768
7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
CID 21073805
7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one
CID 72544743
1-(3-phenoxypropyl)piperazine
CID 2760351
4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine
CID 118722995
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391
2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 121470891
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
1-[3-(4-nitrophenoxy)propyl]piperazine
CID 2944313
7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
1-[4-(2-bromophenoxy)butyl]piperazine
CID 2944247

Frequently Asked Questions

What is the IUPAC name of 7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one (CID 21073478) is 7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one is O=c1ccc2ccc(OCCCN3CCNCC3)nc2[nH]1.
What is the InChIKey of 7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one?
The InChIKey is JWLIAKAMPKUVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-13-4-2-12-3-5-14(18-15(12)17-13)21-11-1-8-19-9-6-16-7-10-19/h2-5,16H,1,6-11H2,(H,17,18,20).
What are the key properties of 7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one?
7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one has a molecular weight of 288.35 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 21073478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).