4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C22H29N3O2 — CID 113112384

IUPAC4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-4-27-21-11-9-20(10-12-21)24-13-15-25(16-14-24)22(26)23-19-7-5-18(6-8-19)17(2)3/h5-12,17H,4,13-16H2,1-3H3,(H,23,26)
InChIKeyGCVJUFMAKCMWAW-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.56
Rot. Bonds5

About 4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113112384) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113112384
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-4-27-21-11-9-20(10-12-21)24-13-15-25(16-14-24)22(26)23-19-7-5-18(6-8-19)17(2)3/h5-12,17H,4,13-16H2,1-3H3,(H,23,26)
InChIKeyGCVJUFMAKCMWAW-UHFFFAOYSA-N
XLogP4.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)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

ethyl 4-[4-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112405
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 23799232
methyl 4-[4-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112397
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3161431
N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113737
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958
N-(4-ethoxyphenyl)-4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780303
N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113781
4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 23852476

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113112384) is 4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CCOc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is GCVJUFMAKCMWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-27-21-11-9-20(10-12-21)24-13-15-25(16-14-24)22(26)23-19-7-5-18(6-8-19)17(2)3/h5-12,17H,4,13-16H2,1-3H3,(H,23,26).
What are the key properties of 4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).