4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one

C22H24N2O2 — CID 35257736

IUPAC4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H24N2O2/c25-22(12-6-9-18-15-23-20-11-5-4-10-19(18)20)24-13-14-26-21(16-24)17-7-2-1-3-8-17/h1-5,7-8,10-11,15,21,23H,6,9,12-14,16H2/t21-/m1/s1
InChIKeyXFHNNONLDUXODF-OAQYLSRUSA-N
MW348.45 g/mol
LogP4.09
Rot. Bonds5

About 4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one

4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one (PubChem CID 35257736) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
PubChem CID35257736
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H24N2O2/c25-22(12-6-9-18-15-23-20-11-5-4-10-19(18)20)24-13-14-26-21(16-24)17-7-2-1-3-8-17/h1-5,7-8,10-11,15,21,23H,6,9,12-14,16H2/t21-/m1/s1
InChIKeyXFHNNONLDUXODF-OAQYLSRUSA-N
XLogP4.09
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 110102712
3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124952727
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 155899693
4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile
CID 78945471
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 127250571
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124973725

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one?
The IUPAC name of 4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one (CID 35257736) is 4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one?
The canonical SMILES for 4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one is O=C(CCCc1c[nH]c2ccccc12)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of 4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one?
The InChIKey is XFHNNONLDUXODF-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-22(12-6-9-18-15-23-20-11-5-4-10-19(18)20)24-13-14-26-21(16-24)17-7-2-1-3-8-17/h1-5,7-8,10-11,15,21,23H,6,9,12-14,16H2/t21-/m1/s1.
What are the key properties of 4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one?
4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one has a molecular weight of 348.45 g/mol, XLogP of 4.09, 5 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-[(2S)-2-phenylmorpholin-4-yl]butan-1-one is sourced from PubChem (CID 35257736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).