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

C17H22N2O — CID 84581686

IUPAC1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2[nH]c3ccc(C)cc3c2C)CC1
InChIInChI=1S/C17H22N2O/c1-11-4-5-16-15(10-11)12(2)17(18-16)14-6-8-19(9-7-14)13(3)20/h4-5,10,14,18H,6-9H2,1-3H3
InChIKeyUALREFMCGKVXPQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.51
Rot. Bonds1

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

1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone (PubChem CID 84581686) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone
PubChem CID84581686
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2[nH]c3ccc(C)cc3c2C)CC1
InChIInChI=1S/C17H22N2O/c1-11-4-5-16-15(10-11)12(2)17(18-16)14-6-8-19(9-7-14)13(3)20/h4-5,10,14,18H,6-9H2,1-3H3
InChIKeyUALREFMCGKVXPQ-UHFFFAOYSA-N
XLogP3.51
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580370
1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 84579139
(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 25210768
(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 84578683
[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 97148435
1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone
CID 146409555
3,6-dimethyl-2-piperidin-4-yl-1H-indole
CID 84625661
3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 84578712
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 70769742
3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26325271
1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 110237326
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone (CID 84581686) is 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2[nH]c3ccc(C)cc3c2C)CC1.
What is the InChIKey of 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is UALREFMCGKVXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-4-5-16-15(10-11)12(2)17(18-16)14-6-8-19(9-7-14)13(3)20/h4-5,10,14,18H,6-9H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone?
1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 270.38 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 84581686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).