3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide

C14H23N5O2S — CID 46999862

IUPAC3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2nc(C)ns2)C1
InChIInChI=1S/C14H23N5O2S/c1-4-18(5-2)12(20)11-7-6-8-19(9-11)14(21)16-13-15-10(3)17-22-13/h11H,4-9H2,1-3H3,(H,15,16,17,21)
InChIKeyUZPGINUOFSWCTQ-UHFFFAOYSA-N
MW325.44 g/mol
LogP1.96
Rot. Bonds4

About 3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide

3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide (PubChem CID 46999862) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide
PubChem CID46999862
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2nc(C)ns2)C1
InChIInChI=1S/C14H23N5O2S/c1-4-18(5-2)12(20)11-7-6-8-19(9-11)14(21)16-13-15-10(3)17-22-13/h11H,4-9H2,1-3H3,(H,15,16,17,21)
InChIKeyUZPGINUOFSWCTQ-UHFFFAOYSA-N
XLogP1.96
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(pyrrolidin-1-ylcarbonyl)piperidine-1-carboxamide
CID 46996800
N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 46994396
3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46986528
N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 107305337
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133484623
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133508427
N-propyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 137921982
3-(4,4-Difluoropiperidine-1-carbonyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine
CID 163357813
N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide
CID 175648272
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-(2,2-difluoroethyl)piperidine-3-carboxamide
CID 177802640
1,3-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 132467203
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperidine-3-carboxamide
CID 132468852

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide (CID 46999862) is 3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide is CCN(CC)C(=O)C1CCCN(C(=O)Nc2nc(C)ns2)C1.
What is the InChIKey of 3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide?
The InChIKey is UZPGINUOFSWCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-4-18(5-2)12(20)11-7-6-8-19(9-11)14(21)16-13-15-10(3)17-22-13/h11H,4-9H2,1-3H3,(H,15,16,17,21).
What are the key properties of 3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide?
3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide has a molecular weight of 325.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 46999862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).