4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide

C20H24ClN3O3 — CID 113113405

IUPAC4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O3/c1-3-27-19-7-5-4-6-17(19)22-20(25)24-12-10-23(11-13-24)15-8-9-18(26-2)16(21)14-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyNWEITCFTNRYURG-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.10
Rot. Bonds5

About 4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide

4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 113113405) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID113113405
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O3/c1-3-27-19-7-5-4-6-17(19)22-20(25)24-12-10-23(11-13-24)15-8-9-18(26-2)16(21)14-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyNWEITCFTNRYURG-UHFFFAOYSA-N
XLogP4.10
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)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-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3686318
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
N-(3-chloro-4-methoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113423
4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111468
4-(3-chloro-4-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663096
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 113077108

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide (CID 113113405) is 4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCN(c2ccc(OC)c(Cl)c2)CC1.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is NWEITCFTNRYURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-3-27-19-7-5-4-6-17(19)22-20(25)24-12-10-23(11-13-24)15-8-9-18(26-2)16(21)14-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).