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

C20H28BrN5O3 — CID 121118134

IUPACN-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCCn1c(C2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C20H28BrN5O3/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)
InChIKeyVKRQNVIYBWXQGO-UHFFFAOYSA-N
MW466.38 g/mol
LogP2.29
Rot. Bonds8

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

N-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 121118134) has the molecular formula C20H28BrN5O3 and a molecular weight of 466.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
PubChem CID121118134
Molecular FormulaC20H28BrN5O3
Molecular Weight466.38 g/mol
Exact Mass465.14
IUPAC NameN-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCCn1c(C2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C20H28BrN5O3/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)
InChIKeyVKRQNVIYBWXQGO-UHFFFAOYSA-N
XLogP2.29
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 121118174
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
N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 121115333

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (CID 121118134) is N-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is CCn1c(C2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)nn(CCOC)c1=O.
What is the InChIKey of N-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is VKRQNVIYBWXQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BrN5O3/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 N-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 466.38 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 121118134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).