ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate

C17H21N3O3 — CID 7326186

IUPACethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1
InChIInChI=1S/C17H21N3O3/c1-3-23-17(22)20-8-6-19(7-9-20)16(21)15-11-13-10-12(2)4-5-14(13)18-15/h4-5,10-11,18H,3,6-9H2,1-2H3
InChIKeyMJSAHUGITSKHME-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.39
Rot. Bonds2

About ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate (PubChem CID 7326186) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate
PubChem CID7326186
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nameethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1
InChIInChI=1S/C17H21N3O3/c1-3-23-17(22)20-8-6-19(7-9-20)16(21)15-11-13-10-12(2)4-5-14(13)18-15/h4-5,10-11,18H,3,6-9H2,1-2H3
InChIKeyMJSAHUGITSKHME-UHFFFAOYSA-N
XLogP2.39
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-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

Frovatriptan
CID 77992
Devazepide
CID 443375
Jnj-7777120
CID 4908365
Rhetsinine
CID 99652
Neoechinulin A
CID 9996305
Tryprostatin B
CID 9863281
Deoxybrevianamide E
CID 182203
Echinulin
CID 115252
Bofutrelvir
CID 145343771
Org27569
CID 44828492
3-(4-fluorophenylethylamino)-1-methyl-4-(2-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 25209788
Preechinulin
CID 44445554

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate (CID 7326186) is ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1.
What is the InChIKey of ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is MJSAHUGITSKHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-23-17(22)20-8-6-19(7-9-20)16(21)15-11-13-10-12(2)4-5-14(13)18-15/h4-5,10-11,18H,3,6-9H2,1-2H3.
What are the key properties of ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methyl-1H-indole-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 7326186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).