2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone

C19H20N4O2 — CID 122257179

IUPAC2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C19H20N4O2/c24-18(14-22-12-8-15-5-1-2-7-17(15)22)23-11-3-6-16(13-23)25-19-20-9-4-10-21-19/h1-2,4-5,7-10,12,16H,3,6,11,13-14H2
InChIKeyAKCDUTGIQPWCFI-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.50
Rot. Bonds4

About 2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone

2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone (PubChem CID 122257179) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
PubChem CID122257179
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C19H20N4O2/c24-18(14-22-12-8-15-5-1-2-7-17(15)22)23-11-3-6-16(13-23)25-19-20-9-4-10-21-19/h1-2,4-5,7-10,12,16H,3,6,11,13-14H2
InChIKeyAKCDUTGIQPWCFI-UHFFFAOYSA-N
XLogP2.50
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone
CID 122259233
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
CID 100620079
2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 124848062
2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257244
2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971243
2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95349017
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone
CID 95341515
2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122160222
2-(benzimidazol-1-yl)-1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267933
1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one
CID 56821754

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone (CID 122257179) is 2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone is O=C(Cn1ccc2ccccc21)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of 2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The InChIKey is AKCDUTGIQPWCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(14-22-12-8-15-5-1-2-7-17(15)22)23-11-3-6-16(13-23)25-19-20-9-4-10-21-19/h1-2,4-5,7-10,12,16H,3,6,11,13-14H2.
What are the key properties of 2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone has a molecular weight of 336.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122257179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).