[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone

C20H24N4O2 — CID 124988973

IUPAC[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)N3CCC[C@@H](c4nc(C)cn4C)C3)c2c1
InChIInChI=1S/C20H24N4O2/c1-13-11-23(2)19(22-13)14-5-4-8-24(12-14)20(25)17-10-21-18-7-6-15(26-3)9-16(17)18/h6-7,9-11,14,21H,4-5,8,12H2,1-3H3/t14-/m1/s1
InChIKeyOQZMKUADQGSBFP-CQSZACIVSA-N
MW352.44 g/mol
LogP3.24
Rot. Bonds3

About [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone

[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone (PubChem CID 124988973) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
PubChem CID124988973
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)N3CCC[C@@H](c4nc(C)cn4C)C3)c2c1
InChIInChI=1S/C20H24N4O2/c1-13-11-23(2)19(22-13)14-5-4-8-24(12-14)20(25)17-10-21-18-7-6-15(26-3)9-16(17)18/h6-7,9-11,14,21H,4-5,8,12H2,1-3H3/t14-/m1/s1
InChIKeyOQZMKUADQGSBFP-CQSZACIVSA-N
XLogP3.24
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone with MolForge

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Related Compounds

[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 125012958
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 127246684
(5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 110265018
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 125015112
3-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 124960618
(5-methoxy-1H-indol-3-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110243504
6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 118792643
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone
CID 110104217
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 124971094
1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
CID 110104156
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124977730

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone (CID 124988973) is [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone is COc1ccc2[nH]cc(C(=O)N3CCC[C@@H](c4nc(C)cn4C)C3)c2c1.
What is the InChIKey of [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone?
The InChIKey is OQZMKUADQGSBFP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-11-23(2)19(22-13)14-5-4-8-24(12-14)20(25)17-10-21-18-7-6-15(26-3)9-16(17)18/h6-7,9-11,14,21H,4-5,8,12H2,1-3H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone?
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 124988973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).