4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C13H21N5O2S — CID 46983292

IUPAC4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(=O)NCCC1CCN(C(=O)Nc2nc(C)ns2)CC1
InChIInChI=1S/C13H21N5O2S/c1-9-15-12(21-17-9)16-13(20)18-7-4-11(5-8-18)3-6-14-10(2)19/h11H,3-8H2,1-2H3,(H,14,19)(H,15,16,17,20)
InChIKeyMMOKZGWEXKZXAS-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.62
Rot. Bonds4

About 4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46983292) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46983292
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(=O)NCCC1CCN(C(=O)Nc2nc(C)ns2)CC1
InChIInChI=1S/C13H21N5O2S/c1-9-15-12(21-17-9)16-13(20)18-7-4-11(5-8-18)3-6-14-10(2)19/h11H,3-8H2,1-2H3,(H,14,19)(H,15,16,17,20)
InChIKeyMMOKZGWEXKZXAS-UHFFFAOYSA-N
XLogP1.62
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46983292) is 4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is CC(=O)NCCC1CCN(C(=O)Nc2nc(C)ns2)CC1.
What is the InChIKey of 4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is MMOKZGWEXKZXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-9-15-12(21-17-9)16-13(20)18-7-4-11(5-8-18)3-6-14-10(2)19/h11H,3-8H2,1-2H3,(H,14,19)(H,15,16,17,20).
What are the key properties of 4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46983292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).