N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide

C21H27N3O3 — CID 47493667

IUPACN-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOCCOc1ccccc1NC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C21H27N3O3/c1-17-6-5-7-18(16-17)23-10-12-24(13-11-23)21(25)22-19-8-3-4-9-20(19)27-15-14-26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyFJDUJGJAVFNQAE-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.37
Rot. Bonds6

About N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide

N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 47493667) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID47493667
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOCCOc1ccccc1NC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C21H27N3O3/c1-17-6-5-7-18(16-17)23-10-12-24(13-11-23)21(25)22-19-8-3-4-9-20(19)27-15-14-26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyFJDUJGJAVFNQAE-UHFFFAOYSA-N
XLogP3.37
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)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-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108894510
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
CID 47373598
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655
methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113513
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866738
N-(2-methoxyphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978773
3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate
CID 58904664
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 60554267

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide (CID 47493667) is N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide is COCCOc1ccccc1NC(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is FJDUJGJAVFNQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-17-6-5-7-18(16-17)23-10-12-24(13-11-23)21(25)22-19-8-3-4-9-20(19)27-15-14-26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 47493667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).