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

C21H26N4O — CID 125015112

IUPAC[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
SMILESCc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)n1
InChIInChI=1S/C21H26N4O/c1-13-11-24(4)20(22-13)17-6-5-9-25(12-17)21(26)16-7-8-19-18(10-16)14(2)15(3)23-19/h7-8,10-11,17,23H,5-6,9,12H2,1-4H3/t17-/m1/s1
InChIKeyWRCQOCFCAVFCAX-QGZVFWFLSA-N
MW350.47 g/mol
LogP3.85
Rot. Bonds2

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

[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone (PubChem CID 125015112) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
PubChem CID125015112
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
SMILESCc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)n1
InChIInChI=1S/C21H26N4O/c1-13-11-24(4)20(22-13)17-6-5-9-25(12-17)21(26)16-7-8-19-18(10-16)14(2)15(3)23-19/h7-8,10-11,17,23H,5-6,9,12H2,1-4H3/t17-/m1/s1
InChIKeyWRCQOCFCAVFCAX-QGZVFWFLSA-N
XLogP3.85
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2,3-dimethyl-1H-indol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 42958743
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 155983479
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125006215
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 124971094
(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156
(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 94784044
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 52537995
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
2H-benzotriazol-5-yl-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124973256
3-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 124960618
3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124950164

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone?
The IUPAC name of [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone (CID 125015112) is [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone?
The canonical SMILES for [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone is Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)n1.
What is the InChIKey of [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone?
The InChIKey is WRCQOCFCAVFCAX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N4O/c1-13-11-24(4)20(22-13)17-6-5-9-25(12-17)21(26)16-7-8-19-18(10-16)14(2)15(3)23-19/h7-8,10-11,17,23H,5-6,9,12H2,1-4H3/t17-/m1/s1.
What are the key properties of [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone?
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone has a molecular weight of 350.47 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone is sourced from PubChem (CID 125015112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).