4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide

C17H26N4O3 — CID 113105364

IUPAC4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H26N4O3/c1-14(22)19-15-5-3-6-16(13-15)20-8-10-21(11-9-20)17(23)18-7-4-12-24-2/h3,5-6,13H,4,7-12H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyYFDLVAIEBJDELU-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.51
Rot. Bonds6

About 4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide

4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide (PubChem CID 113105364) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
PubChem CID113105364
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H26N4O3/c1-14(22)19-15-5-3-6-16(13-15)20-8-10-21(11-9-20)17(23)18-7-4-12-24-2/h3,5-6,13H,4,7-12H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyYFDLVAIEBJDELU-UHFFFAOYSA-N
XLogP1.51
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
4-(3-acetamidophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107155
4-(4-bromo-3-methylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105384
4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106787
N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108894510
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 127565527
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078217
methyl 3-[4-(butylcarbamoyl)piperazin-1-yl]benzoate
CID 113103909

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide (CID 113105364) is 4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide is COCCCNC(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of 4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The InChIKey is YFDLVAIEBJDELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-14(22)19-15-5-3-6-16(13-15)20-8-10-21(11-9-20)17(23)18-7-4-12-24-2/h3,5-6,13H,4,7-12H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of 4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).