3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide

C14H25N5O2 — CID 50967863

IUPAC3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide
SMILESCCn1c(CC2CCNCC2)nn(CCC(=O)NC)c1=O
InChIInChI=1S/C14H25N5O2/c1-3-18-12(10-11-4-7-16-8-5-11)17-19(14(18)21)9-6-13(20)15-2/h11,16H,3-10H2,1-2H3,(H,15,20)
InChIKeyKZFOLOWINUENDT-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.26
Rot. Bonds6

About 3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide

3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide (PubChem CID 50967863) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide
PubChem CID50967863
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide
SMILESCCn1c(CC2CCNCC2)nn(CCC(=O)NC)c1=O
InChIInChI=1S/C14H25N5O2/c1-3-18-12(10-11-4-7-16-8-5-11)17-19(14(18)21)9-6-13(20)15-2/h11,16H,3-10H2,1-2H3,(H,15,20)
InChIKeyKZFOLOWINUENDT-UHFFFAOYSA-N
XLogP-0.26
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Ethyl-1-methyl-3-(piperidin-4-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 86820476
3-(4-Ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-YL)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 91905132
N-ethyl-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 110196075
3-(4-Ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-YL)-N-(propan-2-YL)piperidine-1-carboxamide
CID 110196076
4-Ethyl-1-methyl-3-(piperidin-3-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 86820416
1-Methyl-3-(piperidin-4-YL)-4-(propan-2-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 86820475
3-(4-Ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-YL)-N~1~-propyltetrahydro-1(2H)-pyridinecarboxamide
CID 91905135
5-(1-Acetylpiperidin-3-yl)-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 110196074
4-Ethyl-2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 110196077
4-ethyl-2-(5-fluoropentyl)-5-(piperidin-4-ylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50984828
4-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-5-(piperidin-4-ylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50948312
N,N-diethyl-2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetamide
CID 50971169

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide (CID 50967863) is 3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide is CCn1c(CC2CCNCC2)nn(CCC(=O)NC)c1=O.
What is the InChIKey of 3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide?
The InChIKey is KZFOLOWINUENDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-18-12(10-11-4-7-16-8-5-11)17-19(14(18)21)9-6-13(20)15-2/h11,16H,3-10H2,1-2H3,(H,15,20).
What are the key properties of 3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide?
3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide has a molecular weight of 295.39 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 50967863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).