7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one

C26H29N3O2 — CID 52942615

IUPAC7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one
SMILESCc1c(OCCCN2CCN(c3cccc4ccccc34)CC2)ccc2c1C(=O)NC2
InChIInChI=1S/C26H29N3O2/c1-19-24(11-10-21-18-27-26(30)25(19)21)31-17-5-12-28-13-15-29(16-14-28)23-9-4-7-20-6-2-3-8-22(20)23/h2-4,6-11H,5,12-18H2,1H3,(H,27,30)
InChIKeyNYXWLYUNZBLYDF-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.98
Rot. Bonds6

About 7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one

7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one (PubChem CID 52942615) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one
PubChem CID52942615
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one
SMILESCc1c(OCCCN2CCN(c3cccc4ccccc34)CC2)ccc2c1C(=O)NC2
InChIInChI=1S/C26H29N3O2/c1-19-24(11-10-21-18-27-26(30)25(19)21)31-17-5-12-28-13-15-29(16-14-28)23-9-4-7-20-6-2-3-8-22(20)23/h2-4,6-11H,5,12-18H2,1H3,(H,27,30)
InChIKeyNYXWLYUNZBLYDF-UHFFFAOYSA-N
XLogP3.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-6-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-2,3-dihydroisoindol-1-one
CID 25069355
4,4-dimethyl-7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-1H-pyrido[2,3-d][1,3]oxazin-2-one
CID 21073347
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 134098503
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 122694518
6-[3-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]propoxy]-2,3-dihydroisoindol-1-one
CID 25068964
methylsulfanyl [7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl carbonate
CID 129274152
[7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl dodecanoate
CID 58109103
3-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]-1,2,3-benzotriazin-4-one
CID 24777372
2-methyl-3-[3-(4-naphthalen-1-ylpiperazin-1-yl)propylamino]naphthalene-1,4-dione
CID 130182218
[7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl 2-methylphosphanylacetate
CID 129274156
[2-methylidene-7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1,8-naphthyridin-1-yl]methyl 3-methylbutanoate
CID 166691443

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one (CID 52942615) is 7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one is Cc1c(OCCCN2CCN(c3cccc4ccccc34)CC2)ccc2c1C(=O)NC2.
What is the InChIKey of 7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one?
The InChIKey is NYXWLYUNZBLYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-19-24(11-10-21-18-27-26(30)25(19)21)31-17-5-12-28-13-15-29(16-14-28)23-9-4-7-20-6-2-3-8-22(20)23/h2-4,6-11H,5,12-18H2,1H3,(H,27,30).
What are the key properties of 7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one?
7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one has a molecular weight of 415.54 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 52942615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).