1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone

C19H19ClN4O2 — CID 122259233

IUPAC1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C19H19ClN4O2/c20-15-10-21-19(22-11-15)26-16-5-3-8-24(12-16)18(25)13-23-9-7-14-4-1-2-6-17(14)23/h1-2,4,6-7,9-11,16H,3,5,8,12-13H2
InChIKeyGWOHEMBIYHANDP-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.15
Rot. Bonds4

About 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone

1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone (PubChem CID 122259233) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone.

Molecular Properties

Compound Name1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone
PubChem CID122259233
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C19H19ClN4O2/c20-15-10-21-19(22-11-15)26-16-5-3-8-24(12-16)18(25)13-23-9-7-14-4-1-2-6-17(14)23/h1-2,4,6-7,9-11,16H,3,5,8,12-13H2
InChIKeyGWOHEMBIYHANDP-UHFFFAOYSA-N
XLogP3.15
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257179
1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one
CID 121018069
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122259243
3-chloro-1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 122259293
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
2-(benzimidazol-1-yl)-1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267933
2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 124848062
1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 122259541
2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971243
2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
CID 100620079
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 122259305

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone?
The IUPAC name of 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone (CID 122259233) is 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone.
What is the SMILES notation for 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone?
The canonical SMILES for 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone is O=C(Cn1ccc2ccccc21)N1CCCC(Oc2ncc(Cl)cn2)C1.
What is the InChIKey of 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone?
The InChIKey is GWOHEMBIYHANDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-15-10-21-19(22-11-15)26-16-5-3-8-24(12-16)18(25)13-23-9-7-14-4-1-2-6-17(14)23/h1-2,4,6-7,9-11,16H,3,5,8,12-13H2.
What are the key properties of 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone?
1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone has a molecular weight of 370.84 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone is sourced from PubChem (CID 122259233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).