(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone

C18H20N4O — CID 51107649

IUPAC(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCC(n4ccnc4)CC3)[nH]c2c1
InChIInChI=1S/C18H20N4O/c1-13-2-3-14-11-17(20-16(14)10-13)18(23)21-7-4-15(5-8-21)22-9-6-19-12-22/h2-3,6,9-12,15,20H,4-5,7-8H2,1H3
InChIKeyWHIOGRCWXLWAHO-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.15
Rot. Bonds2

About (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone

(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone (PubChem CID 51107649) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
PubChem CID51107649
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCC(n4ccnc4)CC3)[nH]c2c1
InChIInChI=1S/C18H20N4O/c1-13-2-3-14-11-17(20-16(14)10-13)18(23)21-7-4-15(5-8-21)22-9-6-19-12-22/h2-3,6,9-12,15,20H,4-5,7-8H2,1H3
InChIKeyWHIOGRCWXLWAHO-UHFFFAOYSA-N
XLogP3.15
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
(6-hydroxy-1H-indol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 70013039
(4-chlorophenyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089047
1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 7326182
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 55559402
4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119238946
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 42947189
3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 138993159
3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95569131
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 71929956
(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290652

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
The IUPAC name of (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone (CID 51107649) is (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone is Cc1ccc2cc(C(=O)N3CCC(n4ccnc4)CC3)[nH]c2c1.
What is the InChIKey of (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
The InChIKey is WHIOGRCWXLWAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-2-3-14-11-17(20-16(14)10-13)18(23)21-7-4-15(5-8-21)22-9-6-19-12-22/h2-3,6,9-12,15,20H,4-5,7-8H2,1H3.
What are the key properties of (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone has a molecular weight of 308.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 51107649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).