2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone

C22H24N2O2 — CID 86971243

IUPAC2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C22H24N2O2/c25-22(16-23-14-12-19-8-4-5-11-21(19)23)24-13-6-7-18(15-24)17-26-20-9-2-1-3-10-20/h1-5,8-12,14,18H,6-7,13,15-17H2
InChIKeyHDKASMHSKSYGDR-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.96
Rot. Bonds5

About 2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone

2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone (PubChem CID 86971243) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
PubChem CID86971243
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C22H24N2O2/c25-22(16-23-14-12-19-8-4-5-11-21(19)23)24-13-6-7-18(15-24)17-26-20-9-2-1-3-10-20/h1-5,8-12,14,18H,6-7,13,15-17H2
InChIKeyHDKASMHSKSYGDR-UHFFFAOYSA-N
XLogP3.96
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
1-ethyl-3-[2-oxo-2-[3-(phenoxymethyl)piperidin-1-yl]ethyl]benzimidazol-2-one
CID 86971333
1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one
CID 166104940
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
4-phenoxy-1-[3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 110638417
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257179
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 124848062
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734
1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone
CID 122259233
2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95349017

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone (CID 86971243) is 2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone is O=C(Cn1ccc2ccccc21)N1CCCC(COc2ccccc2)C1.
What is the InChIKey of 2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is HDKASMHSKSYGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-22(16-23-14-12-19-8-4-5-11-21(19)23)24-13-6-7-18(15-24)17-26-20-9-2-1-3-10-20/h1-5,8-12,14,18H,6-7,13,15-17H2.
What are the key properties of 2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone?
2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 348.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 86971243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).