9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one

C20H26N4O2 — CID 56757453

IUPAC9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCC2(CC1)NCCNC2=O
InChIInChI=1S/C20H26N4O2/c25-18(7-3-4-15-14-22-17-6-2-1-5-16(15)17)24-12-8-20(9-13-24)19(26)21-10-11-23-20/h1-2,5-6,14,22-23H,3-4,7-13H2,(H,21,26)
InChIKeyZSELEUYRODBCMR-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.57
Rot. Bonds4

About 9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one

9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 56757453) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID56757453
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCC2(CC1)NCCNC2=O
InChIInChI=1S/C20H26N4O2/c25-18(7-3-4-15-14-22-17-6-2-1-5-16(15)17)24-12-8-20(9-13-24)19(26)21-10-11-23-20/h1-2,5-6,14,22-23H,3-4,7-13H2,(H,21,26)
InChIKeyZSELEUYRODBCMR-UHFFFAOYSA-N
XLogP1.57
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
1-[4-(1H-indol-3-yl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256041
1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97017421
1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 163318056
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 32530640
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
4-(1H-indol-3-yl)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 17467441
4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one
CID 131679347
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 27040696

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one (CID 56757453) is 9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one is O=C(CCCc1c[nH]c2ccccc12)N1CCC2(CC1)NCCNC2=O.
What is the InChIKey of 9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is ZSELEUYRODBCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-18(7-3-4-15-14-22-17-6-2-1-5-16(15)17)24-12-8-20(9-13-24)19(26)21-10-11-23-20/h1-2,5-6,14,22-23H,3-4,7-13H2,(H,21,26).
What are the key properties of 9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 354.45 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 56757453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).