(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone

C18H24N2O — CID 84578683

IUPAC(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CC(C)CC(C)C3)c(C)c2c1
InChIInChI=1S/C18H24N2O/c1-11-5-6-16-15(8-11)14(4)17(19-16)18(21)20-9-12(2)7-13(3)10-20/h5-6,8,12-13,19H,7,9-10H2,1-4H3
InChIKeyLPWYIDPJZQLWSW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.90
Rot. Bonds1

About (3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone

(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 84578683) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID84578683
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CC(C)CC(C)C3)c(C)c2c1
InChIInChI=1S/C18H24N2O/c1-11-5-6-16-15(8-11)14(4)17(19-16)18(21)20-9-12(2)7-13(3)10-20/h5-6,8,12-13,19H,7,9-10H2,1-4H3
InChIKeyLPWYIDPJZQLWSW-UHFFFAOYSA-N
XLogP3.90
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 25210768
3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 84578712
(3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 84578405
(3,5-dimethyl-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167920201
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 70769742
[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 97148435
(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204953
(3,5-dimethyl-1H-indol-2-yl)-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone
CID 70743647
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117522
(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204518
1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 84581686

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 84578683) is (3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone is Cc1ccc2[nH]c(C(=O)N3CC(C)CC(C)C3)c(C)c2c1.
What is the InChIKey of (3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is LPWYIDPJZQLWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-11-5-6-16-15(8-11)14(4)17(19-16)18(21)20-9-12(2)7-13(3)10-20/h5-6,8,12-13,19H,7,9-10H2,1-4H3.
What are the key properties of (3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 284.40 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 84578683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).