N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide

C16H25N3O3 — CID 108894510

IUPACN-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOCCOCNC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H25N3O3/c1-14-4-3-5-15(12-14)18-6-8-19(9-7-18)16(20)17-13-22-11-10-21-2/h3-5,12H,6-11,13H2,1-2H3,(H,17,20)
InChIKeyFKCLMYWPJQAIQH-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.45
Rot. Bonds6

About N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide

N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 108894510) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID108894510
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOCCOCNC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H25N3O3/c1-14-4-3-5-15(12-14)18-6-8-19(9-7-18)16(20)17-13-22-11-10-21-2/h3-5,12H,6-11,13H2,1-2H3,(H,17,20)
InChIKeyFKCLMYWPJQAIQH-UHFFFAOYSA-N
XLogP1.45
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 127565527
N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108505043
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
CID 108894345
N-(2-methoxyethyl)-2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108959490
N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 47493667
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide
CID 109045294
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
N-(2-methoxyethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108972715
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105364
4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide
CID 108874685

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide (CID 108894510) is N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide is COCCOCNC(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is FKCLMYWPJQAIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-14-4-3-5-15(12-14)18-6-8-19(9-7-18)16(20)17-13-22-11-10-21-2/h3-5,12H,6-11,13H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide?
N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108894510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).