1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione

C24H23N3O2 — CID 9282637

IUPAC1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)c2ccccc21
InChIInChI=1S/C24H23N3O2/c28-23-21-10-3-4-11-22(21)27(24(23)29)17-26-14-12-25(13-15-26)16-19-8-5-7-18-6-1-2-9-20(18)19/h1-11H,12-17H2
InChIKeyCOCUADYTNVHBRA-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.14
Rot. Bonds4

About 1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione

1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione (PubChem CID 9282637) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione
PubChem CID9282637
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)c2ccccc21
InChIInChI=1S/C24H23N3O2/c28-23-21-10-3-4-11-22(21)27(24(23)29)17-26-14-12-25(13-15-26)16-19-8-5-7-18-6-1-2-9-20(18)19/h1-11H,12-17H2
InChIKeyCOCUADYTNVHBRA-UHFFFAOYSA-N
XLogP3.14
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 7029246
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 9330466
1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
CID 31132785
1-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 7029286
1-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 17023570
5-chloro-1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 9171044
4-bromo-1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 35943804
1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride
CID 23363958
(5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30629728
1-(quinolin-8-ylmethyl)indole-2,3-dione
CID 3008305
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione?
The IUPAC name of 1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione (CID 9282637) is 1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione?
The canonical SMILES for 1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione is O=C1C(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)c2ccccc21.
What is the InChIKey of 1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione?
The InChIKey is COCUADYTNVHBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-23-21-10-3-4-11-22(21)27(24(23)29)17-26-14-12-25(13-15-26)16-19-8-5-7-18-6-1-2-9-20(18)19/h1-11H,12-17H2.
What are the key properties of 1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione?
1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione has a molecular weight of 385.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 9282637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).