4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide

C19H32N4O2 — CID 113105145

IUPAC4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)NCCOC)CC2)c(C)c1
InChIInChI=1S/C19H32N4O2/c1-5-21(6-2)17-7-8-18(16(3)15-17)22-10-12-23(13-11-22)19(24)20-9-14-25-4/h7-8,15H,5-6,9-14H2,1-4H3,(H,20,24)
InChIKeyHHTAVRIKPJIRKS-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.32
Rot. Bonds7

About 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide

4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 113105145) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID113105145
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(N2CCN(C(=O)NCCOC)CC2)c(C)c1
InChIInChI=1S/C19H32N4O2/c1-5-21(6-2)17-7-8-18(16(3)15-17)22-10-12-23(13-11-22)19(24)20-9-14-25-4/h7-8,15H,5-6,9-14H2,1-4H3,(H,20,24)
InChIKeyHHTAVRIKPJIRKS-UHFFFAOYSA-N
XLogP2.32
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)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-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106359
4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104139
4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 113103750
1-[4-[4-(diethylamino)-2-methylphenyl]piperazin-1-yl]ethanone
CID 113080662
4-(4-bromo-2-methylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105383
4-[4-(diethylamino)-2-methylphenyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108473
N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide
CID 113080706
1-[4-[4-(diethylamino)-2-methylphenyl]piperazin-1-yl]-2-phenoxyethanone
CID 113080691
4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105123
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
N,N-diethyl-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)aniline
CID 113080714
4-(4-bromo-2-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110767

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide (CID 113105145) is 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide is CCN(CC)c1ccc(N2CCN(C(=O)NCCOC)CC2)c(C)c1.
What is the InChIKey of 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is HHTAVRIKPJIRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-5-21(6-2)17-7-8-18(16(3)15-17)22-10-12-23(13-11-22)19(24)20-9-14-25-4/h7-8,15H,5-6,9-14H2,1-4H3,(H,20,24).
What are the key properties of 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide?
4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).