methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate

C20H19N3O4S — CID 167179465

IUPACmethyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H19N3O4S/c1-27-20(26)16-8-4-5-9-23(16)19(25)15-11-28-18(22-15)17(24)13-10-21-14-7-3-2-6-12(13)14/h2-3,6-7,10-11,16,21H,4-5,8-9H2,1H3
InChIKeyQGXVGCWYNPQZOQ-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.02
Rot. Bonds4

About methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate

methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate (PubChem CID 167179465) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate
PubChem CID167179465
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Namemethyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H19N3O4S/c1-27-20(26)16-8-4-5-9-23(16)19(25)15-11-28-18(22-15)17(24)13-10-21-14-7-3-2-6-12(13)14/h2-3,6-7,10-11,16,21H,4-5,8-9H2,1H3
InChIKeyQGXVGCWYNPQZOQ-UHFFFAOYSA-N
XLogP3.02
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate (CID 167179465) is methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1.
What is the InChIKey of methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate?
The InChIKey is QGXVGCWYNPQZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-20(26)16-8-4-5-9-23(16)19(25)15-11-28-18(22-15)17(24)13-10-21-14-7-3-2-6-12(13)14/h2-3,6-7,10-11,16,21H,4-5,8-9H2,1H3.
What are the key properties of methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate?
methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate has a molecular weight of 397.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 167179465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).