2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone

C21H22N2O — CID 10381218

IUPAC2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)N1CCCCC1
InChIInChI=1S/C21H22N2O/c24-20(23-13-7-2-8-14-23)15-18-17-11-5-6-12-19(17)22-21(18)16-9-3-1-4-10-16/h1,3-6,9-12,22H,2,7-8,13-15H2
InChIKeyGFRHLCDSWKISNK-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.39
Rot. Bonds3

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

2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone (PubChem CID 10381218) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone
PubChem CID10381218
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)N1CCCCC1
InChIInChI=1S/C21H22N2O/c24-20(23-13-7-2-8-14-23)15-18-17-11-5-6-12-19(17)22-21(18)16-9-3-1-4-10-16/h1,3-6,9-12,22H,2,7-8,13-15H2
InChIKeyGFRHLCDSWKISNK-UHFFFAOYSA-N
XLogP4.39
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone (CID 10381218) is 2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone is O=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)N1CCCCC1.
What is the InChIKey of 2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone?
The InChIKey is GFRHLCDSWKISNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c24-20(23-13-7-2-8-14-23)15-18-17-11-5-6-12-19(17)22-21(18)16-9-3-1-4-10-16/h1,3-6,9-12,22H,2,7-8,13-15H2.
What are the key properties of 2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone?
2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone has a molecular weight of 318.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1H-indol-3-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 10381218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).