4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide

C19H31N5O2 — CID 113105001

IUPAC4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C19H31N5O2/c1-21-7-11-23(12-8-21)18-5-3-17(4-6-18)20-19(25)24-13-9-22(10-14-24)15-16-26-2/h3-6H,7-16H2,1-2H3,(H,20,25)
InChIKeyDSJNARPHFGZYAY-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.23
Rot. Bonds5

About 4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide

4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 113105001) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID113105001
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C19H31N5O2/c1-21-7-11-23(12-8-21)18-5-3-17(4-6-18)20-19(25)24-13-9-22(10-14-24)15-16-26-2/h3-6H,7-16H2,1-2H3,(H,20,25)
InChIKeyDSJNARPHFGZYAY-UHFFFAOYSA-N
XLogP1.23
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]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-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104950
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
4-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113104985
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105247
4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(methylsulfamoyl)aniline
CID 110627180
4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113103823
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
CID 110288135
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(4-fluorophenyl)-N-[4-(2-methoxyethylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 56763318
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 110288167

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide (CID 113105001) is 4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide is COCCN1CCN(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1.
What is the InChIKey of 4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is DSJNARPHFGZYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-21-7-11-23(12-8-21)18-5-3-17(4-6-18)20-19(25)24-13-9-22(10-14-24)15-16-26-2/h3-6H,7-16H2,1-2H3,(H,20,25).
What are the key properties of 4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide?
4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 113105001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).