4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one

C16H27N5O2 — CID 56723350

IUPAC4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCNC2)nn(CCC(=O)N2CCCC2)c1=O
InChIInChI=1S/C16H27N5O2/c1-2-20-15(13-6-5-8-17-12-13)18-21(16(20)23)11-7-14(22)19-9-3-4-10-19/h13,17H,2-12H2,1H3
InChIKeyNQECRLANIXBZQY-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.54
Rot. Bonds5

About 4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one

4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one (PubChem CID 56723350) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one
PubChem CID56723350
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCNC2)nn(CCC(=O)N2CCCC2)c1=O
InChIInChI=1S/C16H27N5O2/c1-2-20-15(13-6-5-8-17-12-13)18-21(16(20)23)11-7-14(22)19-9-3-4-10-19/h13,17H,2-12H2,1H3
InChIKeyNQECRLANIXBZQY-UHFFFAOYSA-N
XLogP0.54
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-Ethyl-1-methyl-3-(piperidin-3-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 86820416
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
4-Ethyl-2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 110196077
3-(4-Cyclopentyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-YL)-N-ethylpiperidine-1-carboxamide
CID 124041273
4-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-5-(piperidin-4-ylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50948312
4-ethyl-5-[1-(3-isoxazolidin-2-ylpropanoyl)piperidin-3-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56721248
4-ethyl-5-{1-[(1-isobutyl-5-oxopyrrolidin-3-yl)carbonyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56759151
N-(4-azepan-1-ylbutyl)-2-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 91769591
1-(2,2-dimethylpropanoyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-3-carboxamide
CID 48003184
3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide
CID 48958130

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one (CID 56723350) is 4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one is CCn1c(C2CCCNC2)nn(CCC(=O)N2CCCC2)c1=O.
What is the InChIKey of 4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one?
The InChIKey is NQECRLANIXBZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-2-20-15(13-6-5-8-17-12-13)18-21(16(20)23)11-7-14(22)19-9-3-4-10-19/h13,17H,2-12H2,1H3.
What are the key properties of 4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one?
4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one has a molecular weight of 321.43 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-3-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 56723350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).