ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate

C15H21N5O3S — CID 110675476

IUPACethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCc2nn3c(C)nnc3s2)C1
InChIInChI=1S/C15H21N5O3S/c1-3-23-14(22)11-5-4-8-19(9-11)13(21)7-6-12-18-20-10(2)16-17-15(20)24-12/h11H,3-9H2,1-2H3
InChIKeyMDPVPPLIKLITAF-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.23
Rot. Bonds5

About ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate

ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate (PubChem CID 110675476) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate
PubChem CID110675476
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Nameethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCc2nn3c(C)nnc3s2)C1
InChIInChI=1S/C15H21N5O3S/c1-3-23-14(22)11-5-4-8-19(9-11)13(21)7-6-12-18-20-10(2)16-17-15(20)24-12/h11H,3-9H2,1-2H3
InChIKeyMDPVPPLIKLITAF-UHFFFAOYSA-N
XLogP1.23
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-[3-(2-methyl-1,3-thiazol-4-yl)propanoyl]piperidine-3-carboxylate
CID 110678658
ethyl 1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]piperidine-3-carboxylate
CID 20903808
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate
CID 110697880
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
CID 81344595
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43409437

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate (CID 110675476) is ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCc2nn3c(C)nnc3s2)C1.
What is the InChIKey of ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate?
The InChIKey is MDPVPPLIKLITAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-3-23-14(22)11-5-4-8-19(9-11)13(21)7-6-12-18-20-10(2)16-17-15(20)24-12/h11H,3-9H2,1-2H3.
What are the key properties of ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate?
ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate has a molecular weight of 351.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 110675476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).