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

C17H26N4O3 — CID 113105247

IUPACN-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCN1CCN(C(=O)Nc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C17H26N4O3/c1-14(22)18-15-4-6-16(7-5-15)19-17(23)21-11-9-20(10-12-21)8-3-13-24-2/h4-7H,3,8-13H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyGZJRHXNYFQKWHU-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.83
Rot. Bonds6

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

N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide (PubChem CID 113105247) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
PubChem CID113105247
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCN1CCN(C(=O)Nc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C17H26N4O3/c1-14(22)18-15-4-6-16(7-5-15)19-17(23)21-11-9-20(10-12-21)8-3-13-24-2/h4-7H,3,8-13H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyGZJRHXNYFQKWHU-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide (CID 113105247) is N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide is COCCCN1CCN(C(=O)Nc2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide?
The InChIKey is GZJRHXNYFQKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-14(22)18-15-4-6-16(7-5-15)19-17(23)21-11-9-20(10-12-21)8-3-13-24-2/h4-7H,3,8-13H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide?
N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).