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

C18H24N2O — CID 43430156

IUPAC(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1
InChIInChI=1S/C18H24N2O/c1-4-14-6-5-9-20(11-14)18(21)15-7-8-17-16(10-15)12(2)13(3)19-17/h7-8,10,14,19H,4-6,9,11H2,1-3H3
InChIKeyIIAIZHLWEZMATH-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.05
Rot. Bonds2

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

(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone (PubChem CID 43430156) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
PubChem CID43430156
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1
InChIInChI=1S/C18H24N2O/c1-4-14-6-5-9-20(11-14)18(21)15-7-8-17-16(10-15)12(2)13(3)19-17/h7-8,10,14,19H,4-6,9,11H2,1-3H3
InChIKeyIIAIZHLWEZMATH-UHFFFAOYSA-N
XLogP4.05
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.05
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

(2,3-dimethyl-1H-indol-5-yl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106506
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 52537995
(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 94784044
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 34467098
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125006215
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029189
(2,3-dimethyl-1H-indol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 42958743
(2,3-dimethyl-1H-indol-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 65418753
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 125015112

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone (CID 43430156) is (2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone is CCC1CCCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone?
The InChIKey is IIAIZHLWEZMATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-14-6-5-9-20(11-14)18(21)15-7-8-17-16(10-15)12(2)13(3)19-17/h7-8,10,14,19H,4-6,9,11H2,1-3H3.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone?
(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone has a molecular weight of 284.40 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 43430156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).