2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione

C24H23N3O2 — CID 139959109

IUPAC2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc2cccc(CN3CCNCC3)c12
InChIInChI=1S/C24H23N3O2/c28-23-20-9-1-2-10-21(20)24(29)27(23)16-19-8-4-6-17-5-3-7-18(22(17)19)15-26-13-11-25-12-14-26/h1-10,25H,11-16H2
InChIKeyHRZAHBVETWLFSO-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.04
Rot. Bonds4

About 2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione

2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione (PubChem CID 139959109) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione
PubChem CID139959109
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc2cccc(CN3CCNCC3)c12
InChIInChI=1S/C24H23N3O2/c28-23-20-9-1-2-10-21(20)24(29)27(23)16-19-8-4-6-17-5-3-7-18(22(17)19)15-26-13-11-25-12-14-26/h1-10,25H,11-16H2
InChIKeyHRZAHBVETWLFSO-UHFFFAOYSA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione
CID 139958917
2-(3-piperazin-1-ylpropyl)benzo[de]isoquinoline-1,3-dione
CID 3435846
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
CID 91803359
1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine
CID 123869857
1-(naphthalen-1-ylmethyl)-1,5-diazocane
CID 62369644
2-hydroxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;dihydrochloride
CID 141435745
3-bromo-4-(piperazin-1-ylmethyl)-2H-indazole
CID 117475751
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
naphthalen-1-yl-[2-(piperazin-1-ylmethyl)phenyl]methanethiol
CID 22744873
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one
CID 117407731

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione (CID 139959109) is 2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cccc2cccc(CN3CCNCC3)c12.
What is the InChIKey of 2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione?
The InChIKey is HRZAHBVETWLFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-23-20-9-1-2-10-21(20)24(29)27(23)16-19-8-4-6-17-5-3-7-18(22(17)19)15-26-13-11-25-12-14-26/h1-10,25H,11-16H2.
What are the key properties of 2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione?
2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 385.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 139959109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).