4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide

C17H24N6O2 — CID 46990586

IUPAC4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2ncn(CC)n2)CC1
InChIInChI=1S/C17H24N6O2/c1-3-23-13-18-16(20-23)19-17(24)22-11-9-21(10-12-22)14-7-5-6-8-15(14)25-4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,20,24)
InChIKeyXIAZSHNXZIEVAQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.05
Rot. Bonds5

About 4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide

4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide (PubChem CID 46990586) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
PubChem CID46990586
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2ncn(CC)n2)CC1
InChIInChI=1S/C17H24N6O2/c1-3-23-13-18-16(20-23)19-17(24)22-11-9-21(10-12-22)14-7-5-6-8-15(14)25-4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,20,24)
InChIKeyXIAZSHNXZIEVAQ-UHFFFAOYSA-N
XLogP2.05
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide 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

4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 154737898
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113207
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113682
N-(3-chloro-4-methoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113423
4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655
4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
CID 119071790
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 60543780
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide (CID 46990586) is 4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)Nc2ncn(CC)n2)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide?
The InChIKey is XIAZSHNXZIEVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-23-13-18-16(20-23)19-17(24)22-11-9-21(10-12-22)14-7-5-6-8-15(14)25-4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,20,24).
What are the key properties of 4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide?
4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 46990586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).