[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone

C21H26N4O — CID 110104217

IUPAC[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone
SMILESCCn1cc(C(=O)N2CCCC(c3nc(C)cn3C)C2)c2ccccc21
InChIInChI=1S/C21H26N4O/c1-4-24-14-18(17-9-5-6-10-19(17)24)21(26)25-11-7-8-16(13-25)20-22-15(2)12-23(20)3/h5-6,9-10,12,14,16H,4,7-8,11,13H2,1-3H3
InChIKeyXACACVPIAQSFFI-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.72
Rot. Bonds3

About [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone

[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone (PubChem CID 110104217) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone
PubChem CID110104217
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone
SMILESCCn1cc(C(=O)N2CCCC(c3nc(C)cn3C)C2)c2ccccc21
InChIInChI=1S/C21H26N4O/c1-4-24-14-18(17-9-5-6-10-19(17)24)21(26)25-11-7-8-16(13-25)20-22-15(2)12-23(20)3/h5-6,9-10,12,14,16H,4,7-8,11,13H2,1-3H3
InChIKeyXACACVPIAQSFFI-UHFFFAOYSA-N
XLogP3.72
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 125002217
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 124959107
3-(benzotriazol-1-yl)-1-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 124940441
1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
CID 110104156
(1-methylindol-3-yl)-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125026162
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 124971094
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 110103951
3-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 124960618
(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247491
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone
CID 138009191
(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 110108182
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 124988973

Frequently Asked Questions

What is the IUPAC name of [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone?
The IUPAC name of [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone (CID 110104217) is [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone.
What is the SMILES notation for [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone?
The canonical SMILES for [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone is CCn1cc(C(=O)N2CCCC(c3nc(C)cn3C)C2)c2ccccc21.
What is the InChIKey of [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone?
The InChIKey is XACACVPIAQSFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-4-24-14-18(17-9-5-6-10-19(17)24)21(26)25-11-7-8-16(13-25)20-22-15(2)12-23(20)3/h5-6,9-10,12,14,16H,4,7-8,11,13H2,1-3H3.
What are the key properties of [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone?
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone has a molecular weight of 350.47 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone is sourced from PubChem (CID 110104217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).