4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one

C26H37N3O2 — CID 131679347

IUPAC4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCCC2(CCCN2CC2CCCO2)CC1
InChIInChI=1S/C26H37N3O2/c30-25(11-3-7-21-19-27-24-10-2-1-9-23(21)24)28-15-5-12-26(14-17-28)13-6-16-29(26)20-22-8-4-18-31-22/h1-2,9-10,19,22,27H,3-8,11-18,20H2
InChIKeyFZISPMPHDNIOLO-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.52
Rot. Bonds6

About 4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one

4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one (PubChem CID 131679347) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one
PubChem CID131679347
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCCC2(CCCN2CC2CCCO2)CC1
InChIInChI=1S/C26H37N3O2/c30-25(11-3-7-21-19-27-24-10-2-1-9-23(21)24)28-15-5-12-26(14-17-28)13-6-16-29(26)20-22-8-4-18-31-22/h1-2,9-10,19,22,27H,3-8,11-18,20H2
InChIKeyFZISPMPHDNIOLO-UHFFFAOYSA-N
XLogP4.52
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
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-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one
CID 110156926
9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56757453
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110611350
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659144
4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
CID 35257736
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 32530640
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

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one?
The IUPAC name of 4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one (CID 131679347) is 4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one?
The canonical SMILES for 4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one is O=C(CCCc1c[nH]c2ccccc12)N1CCCC2(CCCN2CC2CCCO2)CC1.
What is the InChIKey of 4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one?
The InChIKey is FZISPMPHDNIOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c30-25(11-3-7-21-19-27-24-10-2-1-9-23(21)24)28-15-5-12-26(14-17-28)13-6-16-29(26)20-22-8-4-18-31-22/h1-2,9-10,19,22,27H,3-8,11-18,20H2.
What are the key properties of 4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one?
4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one has a molecular weight of 423.60 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one is sourced from PubChem (CID 131679347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).