4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one

C16H20N2O2 — CID 645040

IUPAC4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCOCC1
InChIInChI=1S/C16H20N2O2/c19-16(18-8-10-20-11-9-18)7-3-4-13-12-17-15-6-2-1-5-14(13)15/h1-2,5-6,12,17H,3-4,7-11H2
InChIKeyYFXYLXOHDNYDNC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.35
Rot. Bonds4

About 4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one

4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one (PubChem CID 645040) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
PubChem CID645040
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCOCC1
InChIInChI=1S/C16H20N2O2/c19-16(18-8-10-20-11-9-18)7-3-4-13-12-17-15-6-2-1-5-14(13)15/h1-2,5-6,12,17H,3-4,7-11H2
InChIKeyYFXYLXOHDNYDNC-UHFFFAOYSA-N
XLogP2.35
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
CID 35257736
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 32530640
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate
CID 45353288
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 56866050
1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110108314
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
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
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one (CID 645040) is 4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one is O=C(CCCc1c[nH]c2ccccc12)N1CCOCC1.
What is the InChIKey of 4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one?
The InChIKey is YFXYLXOHDNYDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(18-8-10-20-11-9-18)7-3-4-13-12-17-15-6-2-1-5-14(13)15/h1-2,5-6,12,17H,3-4,7-11H2.
What are the key properties of 4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one?
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one has a molecular weight of 272.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 645040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).