1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone

C20H24N4O — CID 95340151

IUPAC1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone
SMILESCc1cn(CC(=O)N2CCC[C@@H](n3ccnc3C)C2)c2ccccc12
InChIInChI=1S/C20H24N4O/c1-15-12-23(19-8-4-3-7-18(15)19)14-20(25)22-10-5-6-17(13-22)24-11-9-21-16(24)2/h3-4,7-9,11-12,17H,5-6,10,13-14H2,1-2H3/t17-/m1/s1
InChIKeyZANUFQBGVVKCQI-QGZVFWFLSA-N
MW336.44 g/mol
LogP3.32
Rot. Bonds3

About 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone

1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone (PubChem CID 95340151) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone
PubChem CID95340151
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone
SMILESCc1cn(CC(=O)N2CCC[C@@H](n3ccnc3C)C2)c2ccccc12
InChIInChI=1S/C20H24N4O/c1-15-12-23(19-8-4-3-7-18(15)19)14-20(25)22-10-5-6-17(13-22)24-11-9-21-16(24)2/h3-4,7-9,11-12,17H,5-6,10,13-14H2,1-2H3/t17-/m1/s1
InChIKeyZANUFQBGVVKCQI-QGZVFWFLSA-N
XLogP3.32
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95349017
1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone
CID 110910723
2-[3-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]acetonitrile
CID 95736264
3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95323599
3-methyl-1-[2-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95606427
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 95734212
3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95327617
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95340408
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95310251
2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94363141

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone?
The IUPAC name of 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone (CID 95340151) is 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone is Cc1cn(CC(=O)N2CCC[C@@H](n3ccnc3C)C2)c2ccccc12.
What is the InChIKey of 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone?
The InChIKey is ZANUFQBGVVKCQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-12-23(19-8-4-3-7-18(15)19)14-20(25)22-10-5-6-17(13-22)24-11-9-21-16(24)2/h3-4,7-9,11-12,17H,5-6,10,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone?
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone has a molecular weight of 336.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone is sourced from PubChem (CID 95340151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).