1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one

C22H24N2O — CID 117066232

IUPAC1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one
SMILESO=C(c1c[nH]c2ccccc12)C(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C22H24N2O/c25-22(19-15-23-21-12-6-5-11-18(19)21)20(17-9-3-1-4-10-17)16-24-13-7-2-8-14-24/h1,3-6,9-12,15,20,23H,2,7-8,13-14,16H2
InChIKeyAHVIYSFSUDWFJQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.62
Rot. Bonds5

About 1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one

1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one (PubChem CID 117066232) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one
PubChem CID117066232
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one
SMILESO=C(c1c[nH]c2ccccc12)C(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C22H24N2O/c25-22(19-15-23-21-12-6-5-11-18(19)21)20(17-9-3-1-4-10-17)16-24-13-7-2-8-14-24/h1,3-6,9-12,15,20,23H,2,7-8,13-14,16H2
InChIKeyAHVIYSFSUDWFJQ-UHFFFAOYSA-N
XLogP4.62
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
CID 158771523
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethanone
CID 31444734
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
CID 53347376
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
(2R,3S)-2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
CID 26367756
2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
CID 17036982
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)-2-phenylethanone
CID 9356718
benzyl 3-amino-3-(1H-indol-3-yl)-2-(piperidin-1-ylmethyl)propanoate
CID 173217960
2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide
CID 59008542
3-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-3-yl]propanoic acid
CID 122100942

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one (CID 117066232) is 1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one is O=C(c1c[nH]c2ccccc12)C(CN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one?
The InChIKey is AHVIYSFSUDWFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c25-22(19-15-23-21-12-6-5-11-18(19)21)20(17-9-3-1-4-10-17)16-24-13-7-2-8-14-24/h1,3-6,9-12,15,20,23H,2,7-8,13-14,16H2.
What are the key properties of 1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one?
1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one has a molecular weight of 332.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 117066232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).