4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide

C17H26N4O2 — CID 113103906

IUPAC4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-4-8-18-17(23)21-11-9-20(10-12-21)16-7-5-6-15(13-16)19-14(2)22/h5-7,13H,3-4,8-12H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyFMMMFDGKOVWDRO-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.28
Rot. Bonds5

About 4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide

4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide (PubChem CID 113103906) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
PubChem CID113103906
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-4-8-18-17(23)21-11-9-20(10-12-21)16-7-5-6-15(13-16)19-14(2)22/h5-7,13H,3-4,8-12H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyFMMMFDGKOVWDRO-UHFFFAOYSA-N
XLogP2.28
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105364
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
methyl 3-[4-(butylcarbamoyl)piperazin-1-yl]benzoate
CID 113103909
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
4-[4-[(3-bromophenyl)carbamoylamino]phenyl]-N-butylpiperazine-1-carboxamide
CID 42767278
4-(3-acetamidophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107155
4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106787
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide (CID 113103906) is 4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of 4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide?
The InChIKey is FMMMFDGKOVWDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-4-8-18-17(23)21-11-9-20(10-12-21)16-7-5-6-15(13-16)19-14(2)22/h5-7,13H,3-4,8-12H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of 4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide?
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide is sourced from PubChem (CID 113103906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).