7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

C23H23N3O2 — CID 70734814

IUPAC7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCN(Cc3ccc4ccn(Cc5ccccc5)c4c3)C2)C(=O)N1
InChIInChI=1S/C23H23N3O2/c27-21-13-23(22(28)24-21)9-11-25(16-23)14-18-6-7-19-8-10-26(20(19)12-18)15-17-4-2-1-3-5-17/h1-8,10,12H,9,11,13-16H2,(H,24,27,28)
InChIKeyCJTSSFPHZKVNPC-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.93
Rot. Bonds4

About 7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 70734814) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID70734814
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCN(Cc3ccc4ccn(Cc5ccccc5)c4c3)C2)C(=O)N1
InChIInChI=1S/C23H23N3O2/c27-21-13-23(22(28)24-21)9-11-25(16-23)14-18-6-7-19-8-10-26(20(19)12-18)15-17-4-2-1-3-5-17/h1-8,10,12H,9,11,13-16H2,(H,24,27,28)
InChIKeyCJTSSFPHZKVNPC-UHFFFAOYSA-N
XLogP2.93
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.93
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

(3aS,6aR)-5-[(1-benzylindol-6-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
CID 163312613
3-(1-benzylindol-6-yl)propanoic acid
CID 54376010
3-[[6-[1-[(4-phenylphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682150
4-[3-(1-benzylindol-6-yl)propyl]morpholine
CID 170870729
(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 28881549
1-benzylindol-6-amine
CID 69325204
(5R)-7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 96576097
1,2-bis(1-benzylindol-6-yl)hydrazine
CID 69325205
(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
CID 145071819
1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid
CID 118898021
(5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26333138
1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70762800

Frequently Asked Questions

What is the IUPAC name of 7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 70734814) is 7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCN(Cc3ccc4ccn(Cc5ccccc5)c4c3)C2)C(=O)N1.
What is the InChIKey of 7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is CJTSSFPHZKVNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-21-13-23(22(28)24-21)9-11-25(16-23)14-18-6-7-19-8-10-26(20(19)12-18)15-17-4-2-1-3-5-17/h1-8,10,12H,9,11,13-16H2,(H,24,27,28).
What are the key properties of 7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 373.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-benzylindol-6-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 70734814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).