8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H22N4O3 — CID 110494072

IUPAC8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)N1C(=O)NC2(CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)C1=O
InChIInChI=1S/C19H22N4O3/c1-12(2)23-17(25)19(21-18(23)26)6-9-22(10-7-19)16(24)14-4-3-13-5-8-20-15(13)11-14/h3-5,8,11-12,20H,6-7,9-10H2,1-2H3,(H,21,26)
InChIKeySTWTUOHPBFSHIN-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.10
Rot. Bonds2

About 8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110494072) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110494072
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)N1C(=O)NC2(CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)C1=O
InChIInChI=1S/C19H22N4O3/c1-12(2)23-17(25)19(21-18(23)26)6-9-22(10-7-19)16(24)14-4-3-13-5-8-20-15(13)11-14/h3-5,8,11-12,20H,6-7,9-10H2,1-2H3,(H,21,26)
InChIKeySTWTUOHPBFSHIN-UHFFFAOYSA-N
XLogP2.10
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(2-chloropyridine-4-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494071
3-propan-2-yl-8-[2-(trifluoromethyl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494060
8-(3-methylbutanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110493938
8-[2-(1,3-dioxoisoindol-2-yl)propanoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494007
2-[(2-fluorophenyl)methyl]-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 175398385
8-(2-methyl-3-nitrobenzoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494068
8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494032
[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1H-indol-6-yl)methanone
CID 53000039
1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
CID 56907275
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone
CID 97216081
8-(1H-indole-6-carbonyl)-4-(2-methoxyethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91920541
[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone
CID 110695005

Frequently Asked Questions

What is the IUPAC name of 8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110494072) is 8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)N1C(=O)NC2(CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)C1=O.
What is the InChIKey of 8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is STWTUOHPBFSHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(2)23-17(25)19(21-18(23)26)6-9-22(10-7-19)16(24)14-4-3-13-5-8-20-15(13)11-14/h3-5,8,11-12,20H,6-7,9-10H2,1-2H3,(H,21,26).
What are the key properties of 8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 354.41 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110494072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).