1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone

C22H26N4O2 — CID 122267952

IUPAC1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCCc1cnc(OC2CCCN(C(=O)Cc3cn(C)c4ccccc34)C2)nc1
InChIInChI=1S/C22H26N4O2/c1-3-16-12-23-22(24-13-16)28-18-7-6-10-26(15-18)21(27)11-17-14-25(2)20-9-5-4-8-19(17)20/h4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1-2H3
InChIKeyTZZMKTXFRUWEPK-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.14
Rot. Bonds5

About 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone

1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone (PubChem CID 122267952) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
PubChem CID122267952
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCCc1cnc(OC2CCCN(C(=O)Cc3cn(C)c4ccccc34)C2)nc1
InChIInChI=1S/C22H26N4O2/c1-3-16-12-23-22(24-13-16)28-18-7-6-10-26(15-18)21(27)11-17-14-25(2)20-9-5-4-8-19(17)20/h4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1-2H3
InChIKeyTZZMKTXFRUWEPK-UHFFFAOYSA-N
XLogP3.14
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 122268077
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 122268069
2-(benzimidazol-1-yl)-1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267933
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122260188
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 122268217
3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122268126
2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 91626626
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122268139
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-phenylphenyl)methanone
CID 122268048
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 122268059
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032
1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone
CID 122268269

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone (CID 122267952) is 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone is CCc1cnc(OC2CCCN(C(=O)Cc3cn(C)c4ccccc34)C2)nc1.
What is the InChIKey of 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The InChIKey is TZZMKTXFRUWEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-16-12-23-22(24-13-16)28-18-7-6-10-26(15-18)21(27)11-17-14-25(2)20-9-5-4-8-19(17)20/h4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1-2H3.
What are the key properties of 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone has a molecular weight of 378.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 122267952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).