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

C22H24N2O — CID 70630041

IUPAC3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one
SMILESO=C(c1ccccc1)C(Cc1cc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C22H24N2O/c25-22(17-9-3-1-4-10-17)21(24-13-7-2-8-14-24)16-19-15-18-11-5-6-12-20(18)23-19/h1,3-6,9-12,15,21,23H,2,7-8,13-14,16H2
InChIKeyJUFQNZQHJVTIDD-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.45
Rot. Bonds5

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

3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one (PubChem CID 70630041) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one
PubChem CID70630041
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one
SMILESO=C(c1ccccc1)C(Cc1cc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C22H24N2O/c25-22(17-9-3-1-4-10-17)21(24-13-7-2-8-14-24)16-19-15-18-11-5-6-12-20(18)23-19/h1,3-6,9-12,15,21,23H,2,7-8,13-14,16H2
InChIKeyJUFQNZQHJVTIDD-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 2502673
(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
CID 31275145
1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 4317335
(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 3530712
1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 5024671
2-azaniumyl-3-(1H-indol-2-yl)propanoate
CID 23278059
(2R)-2-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 7000195
2-(1H-indol-2-yl)-1-phenylethanol
CID 102199311
1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
CID 21030345
ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351
dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one (CID 70630041) is 3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one is O=C(c1ccccc1)C(Cc1cc2ccccc2[nH]1)N1CCCCC1.
What is the InChIKey of 3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one?
The InChIKey is JUFQNZQHJVTIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c25-22(17-9-3-1-4-10-17)21(24-13-7-2-8-14-24)16-19-15-18-11-5-6-12-20(18)23-19/h1,3-6,9-12,15,21,23H,2,7-8,13-14,16H2.
What are the key properties of 3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one?
3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one has a molecular weight of 332.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 70630041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).