2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide

C20H28FN5O3 — CID 121118174

IUPAC2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCn1c(C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C20H28FN5O3/c1-3-25-19(23-26(20(25)28)12-13-29-2)15-8-10-24(11-9-15)14-18(27)22-17-6-4-16(21)5-7-17/h4-7,15H,3,8-14H2,1-2H3,(H,22,27)
InChIKeyBHXHAEOWOQZESN-UHFFFAOYSA-N
MW405.47 g/mol
LogP1.67
Rot. Bonds8

About 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 121118174) has the molecular formula C20H28FN5O3 and a molecular weight of 405.47 g/mol. Its IUPAC name is 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID121118174
Molecular FormulaC20H28FN5O3
Molecular Weight405.47 g/mol
Exact Mass405.22
IUPAC Name2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCn1c(C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C20H28FN5O3/c1-3-25-19(23-26(20(25)28)12-13-29-2)15-8-10-24(11-9-15)14-18(27)22-17-6-4-16(21)5-7-17/h4-7,15H,3,8-14H2,1-2H3,(H,22,27)
InChIKeyBHXHAEOWOQZESN-UHFFFAOYSA-N
XLogP1.67
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide 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

N-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
CID 121118134
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-phenylacetamide
CID 121118093
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 121118213
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 121118148
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 121118216
N,N-diethyl-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
CID 121118143
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121118141
N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 121117449
N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 121118332
N-(3,4-dichlorophenyl)-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 121115307
2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 121118302
5-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121117486

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide (CID 121118174) is 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide is CCn1c(C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nn(CCOC)c1=O.
What is the InChIKey of 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is BHXHAEOWOQZESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O3/c1-3-25-19(23-26(20(25)28)12-13-29-2)15-8-10-24(11-9-15)14-18(27)22-17-6-4-16(21)5-7-17/h4-7,15H,3,8-14H2,1-2H3,(H,22,27).
What are the key properties of 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 405.47 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 121118174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).