N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide

C16H23N3O2 — CID 113078194

IUPACN-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCCC(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-3-5-16(21)19-10-8-18(9-11-19)15-7-4-6-14(12-15)17-13(2)20/h4,6-7,12H,3,5,8-11H2,1-2H3,(H,17,20)
InChIKeyJCSKRLBYVLUMEH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.09
Rot. Bonds4

About N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide

N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide (PubChem CID 113078194) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
PubChem CID113078194
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCCC(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-3-5-16(21)19-10-8-18(9-11-19)15-7-4-6-14(12-15)17-13(2)20/h4,6-7,12H,3,5,8-11H2,1-2H3,(H,17,20)
InChIKeyJCSKRLBYVLUMEH-UHFFFAOYSA-N
XLogP2.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide
CID 109027097
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 113078225
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
methyl 3-(4-butanoylpiperazin-1-yl)benzoate
CID 113078437
N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 113078258
N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide
CID 109027276
N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078217
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949450
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078219

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide (CID 113078194) is N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide is CCCC(=O)N1CCN(c2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is JCSKRLBYVLUMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-5-16(21)19-10-8-18(9-11-19)15-7-4-6-14(12-15)17-13(2)20/h4,6-7,12H,3,5,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide?
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 113078194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).