ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate

C18H22ClN3O3 — CID 113204728

IUPACethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2[nH]c3ccc(Cl)cc3c2C)CC1
InChIInChI=1S/C18H22ClN3O3/c1-3-25-18(24)22-8-6-13(7-9-22)20-17(23)16-11(2)14-10-12(19)4-5-15(14)21-16/h4-5,10,13,21H,3,6-9H2,1-2H3,(H,20,23)
InChIKeyOSPXURMDBFVWBK-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.48
Rot. Bonds3

About ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 113204728) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
PubChem CID113204728
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Nameethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2[nH]c3ccc(Cl)cc3c2C)CC1
InChIInChI=1S/C18H22ClN3O3/c1-3-25-18(24)22-8-6-13(7-9-22)20-17(23)16-11(2)14-10-12(19)4-5-15(14)21-16/h4-5,10,13,21H,3,6-9H2,1-2H3,(H,20,23)
InChIKeyOSPXURMDBFVWBK-UHFFFAOYSA-N
XLogP3.48
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate
CID 41118330
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 113208788
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 2815508
5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide
CID 42540416
ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate
CID 110698266
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
ethyl 4-[[2-(4-chloro-2-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108524123
ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate
CID 84582484
butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561579
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate (CID 113204728) is ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2[nH]c3ccc(Cl)cc3c2C)CC1.
What is the InChIKey of ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is OSPXURMDBFVWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-3-25-18(24)22-8-6-13(7-9-22)20-17(23)16-11(2)14-10-12(19)4-5-15(14)21-16/h4-5,10,13,21H,3,6-9H2,1-2H3,(H,20,23).
What are the key properties of ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 363.85 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 113204728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).