N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide

C22H29N3O4 — CID 22830514

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(OCCNC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-3-28-20-8-10-21(11-9-20)29-17-12-23-22(26)25-15-13-24(14-16-25)18-4-6-19(27-2)7-5-18/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyPSRMGZDCESICAW-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.00
Rot. Bonds8

About N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide

N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 22830514) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID22830514
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(OCCNC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-3-28-20-8-10-21(11-9-20)29-17-12-23-22(26)25-15-13-24(14-16-25)18-4-6-19(27-2)7-5-18/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyPSRMGZDCESICAW-UHFFFAOYSA-N
XLogP3.00
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)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

N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 112972051
4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110274
N-[2-(4-methoxyphenoxy)ethyl]-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110280
4-(4-ethoxyphenyl)-N-(2-methylsulfanylethyl)-1,4-diazepane-1-carboxamide
CID 142556048
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113110019
N-[2-(4-chlorophenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989697
4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110265
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112972956
ethyl 4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]-1,4-diazepane-1-carboxylate
CID 51129464
N-[2-(4-ethoxyphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112973164

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide (CID 22830514) is N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide is CCOc1ccc(OCCNC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is PSRMGZDCESICAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-3-28-20-8-10-21(11-9-20)29-17-12-23-22(26)25-15-13-24(14-16-25)18-4-6-19(27-2)7-5-18/h4-11H,3,12-17H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 22830514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).