(5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone

C21H30N2O2 — CID 110499037

IUPAC(5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)N1CCCCC1CC)n2CC
InChIInChI=1S/C21H30N2O2/c1-5-16-10-8-9-13-23(16)21(24)20-15(4)18-14-17(25-7-3)11-12-19(18)22(20)6-2/h11-12,14,16H,5-10,13H2,1-4H3
InChIKeyDOTVYKSGWOSUTJ-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.77
Rot. Bonds5

About (5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone

(5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 110499037) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID110499037
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)N1CCCCC1CC)n2CC
InChIInChI=1S/C21H30N2O2/c1-5-16-10-8-9-13-23(16)21(24)20-15(4)18-14-17(25-7-3)11-12-19(18)22(20)6-2/h11-12,14,16H,5-10,13H2,1-4H3
InChIKeyDOTVYKSGWOSUTJ-UHFFFAOYSA-N
XLogP4.77
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 110498961
(2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone
CID 110499054
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone
CID 92599969
(1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 110498748
5-ethoxy-3-methyl-1-prop-2-ynylindole-2-carboxylic acid
CID 83969413
5-ethoxy-1-ethyl-N,3-dimethyl-N-phenylindole-2-carboxamide
CID 110499074
[4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 53132265
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593
5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 110503977
5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide
CID 110497779
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354992

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone (CID 110499037) is (5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone is CCOc1ccc2c(c1)c(C)c(C(=O)N1CCCCC1CC)n2CC.
What is the InChIKey of (5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is DOTVYKSGWOSUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-5-16-10-8-9-13-23(16)21(24)20-15(4)18-14-17(25-7-3)11-12-19(18)22(20)6-2/h11-12,14,16H,5-10,13H2,1-4H3.
What are the key properties of (5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
(5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 342.48 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 110499037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).