(2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione

C26H32N4O2 — CID 155558968

IUPAC(2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione
SMILESCc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O
InChIInChI=1S/C26H32N4O2/c1-17-7-6-8-18(2)23(17)30-24(31)22(15-19-16-27-21-10-5-4-9-20(19)21)28-26(25(30)32)11-13-29(3)14-12-26/h4-10,19,22,27-28H,11-16H2,1-3H3/t19?,22-/m0/s1
InChIKeyFVVJBQFXISQDKF-BPARTEKVSA-N
MW432.57 g/mol
LogP3.20
Rot. Bonds3

About (2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione

(2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione (PubChem CID 155558968) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione
PubChem CID155558968
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name(2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione
SMILESCc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O
InChIInChI=1S/C26H32N4O2/c1-17-7-6-8-18(2)23(17)30-24(31)22(15-19-16-27-21-10-5-4-9-20(19)21)28-26(25(30)32)11-13-29(3)14-12-26/h4-10,19,22,27-28H,11-16H2,1-3H3/t19?,22-/m0/s1
InChIKeyFVVJBQFXISQDKF-BPARTEKVSA-N
XLogP3.20
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione with MolForge

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Related Compounds

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(3R,3'S)-6',7'-difluoro-3',5-dimethylspiro[1H-indole-3,1'-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole]-2-one
CID 168280635
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N-(2,4-Dimethyl-phenyl)-2-(4-phenylacetylamino-piperidin-1-yl)-acetamide
CID 3220942
2-[4-(4-Methyl-benzyl)-piperidin-1-yl]-2-oxo-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)-acetamide
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3-{4-[4-(4-Fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11646336
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CID 16108950

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione?
The IUPAC name of (2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione (CID 155558968) is (2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione?
The canonical SMILES for (2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione is Cc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O.
What is the InChIKey of (2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione?
The InChIKey is FVVJBQFXISQDKF-BPARTEKVSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-17-7-6-8-18(2)23(17)30-24(31)22(15-19-16-27-21-10-5-4-9-20(19)21)28-26(25(30)32)11-13-29(3)14-12-26/h4-10,19,22,27-28H,11-16H2,1-3H3/t19?,22-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione?
(2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione has a molecular weight of 432.57 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1H-indol-3-ylmethyl)-4-(2,6-dimethylphenyl)-9-methyl-1,4,9-triazaspiro[5.5]undecane-3,5-dione is sourced from PubChem (CID 155558968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).