4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide

C13H23N5O2 — CID 56722227

IUPAC4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide
SMILESCCn1c(C2CCCNC2)nn(CCCC(N)=O)c1=O
InChIInChI=1S/C13H23N5O2/c1-2-17-12(10-5-3-7-15-9-10)16-18(13(17)20)8-4-6-11(14)19/h10,15H,2-9H2,1H3,(H2,14,19)
InChIKeyHMZDXCRLGLKYBM-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.20
Rot. Bonds6

About 4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide

4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide (PubChem CID 56722227) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound Name4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide
PubChem CID56722227
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide
SMILESCCn1c(C2CCCNC2)nn(CCCC(N)=O)c1=O
InChIInChI=1S/C13H23N5O2/c1-2-17-12(10-5-3-7-15-9-10)16-18(13(17)20)8-4-6-11(14)19/h10,15H,2-9H2,1H3,(H2,14,19)
InChIKeyHMZDXCRLGLKYBM-UHFFFAOYSA-N
XLogP-0.20
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-(1-isobutyrylpiperidin-3-yl)-4-isopropyl-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 90541132
3-(1-(cyclopropanecarbonyl)piperidin-3-yl)-4-isopropyl-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 90541139
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
2-(2,2-difluoroethyl)-4-ethyl-5-(3-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride
CID 56722975
2-(2,2-difluoroethyl)-4-ethyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-one
CID 95230789
2-(2,2-difluoroethyl)-4-ethyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one
CID 95230790

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide?
The IUPAC name of 4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide (CID 56722227) is 4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for 4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for 4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide is CCn1c(C2CCCNC2)nn(CCCC(N)=O)c1=O.
What is the InChIKey of 4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide?
The InChIKey is HMZDXCRLGLKYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-2-17-12(10-5-3-7-15-9-10)16-18(13(17)20)8-4-6-11(14)19/h10,15H,2-9H2,1H3,(H2,14,19).
What are the key properties of 4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide?
4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide has a molecular weight of 281.36 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 56722227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).