ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate

C20H25ClN2O3 — CID 110498959

IUPACethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(C)c3cc(Cl)ccc3n2CC)CC1
InChIInChI=1S/C20H25ClN2O3/c1-4-23-17-7-6-15(21)12-16(17)13(3)18(23)19(24)22-10-8-14(9-11-22)20(25)26-5-2/h6-7,12,14H,4-5,8-11H2,1-3H3
InChIKeyCPUFNMRUDMSWCV-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.04
Rot. Bonds4

About ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate (PubChem CID 110498959) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate
PubChem CID110498959
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Nameethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(C)c3cc(Cl)ccc3n2CC)CC1
InChIInChI=1S/C20H25ClN2O3/c1-4-23-17-7-6-15(21)12-16(17)13(3)18(23)19(24)22-10-8-14(9-11-22)20(25)26-5-2/h6-7,12,14H,4-5,8-11H2,1-3H3
InChIKeyCPUFNMRUDMSWCV-UHFFFAOYSA-N
XLogP4.04
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate 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

methyl 1-(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate
CID 110499088
(5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 110498961
ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
CID 78849118
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110497715
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
CID 106501349
ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate
CID 3754378
ethyl 1-(3-chloro-4-fluorobenzoyl)azepane-4-carboxylate
CID 46942756
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
CID 127548047
5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide
CID 110497753
ethyl 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43156402

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate (CID 110498959) is ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2c(C)c3cc(Cl)ccc3n2CC)CC1.
What is the InChIKey of ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is CPUFNMRUDMSWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-4-23-17-7-6-15(21)12-16(17)13(3)18(23)19(24)22-10-8-14(9-11-22)20(25)26-5-2/h6-7,12,14H,4-5,8-11H2,1-3H3.
What are the key properties of ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 376.88 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 110498959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).