2-(4-butylphenyl)-2-piperazin-1-ylacetamide

C16H25N3O — CID 70044292

IUPAC2-(4-butylphenyl)-2-piperazin-1-ylacetamide
SMILESCCCCc1ccc(C(C(N)=O)N2CCNCC2)cc1
InChIInChI=1S/C16H25N3O/c1-2-3-4-13-5-7-14(8-6-13)15(16(17)20)19-11-9-18-10-12-19/h5-8,15,18H,2-4,9-12H2,1H3,(H2,17,20)
InChIKeyUEEOJMWQYOVGOB-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.46
Rot. Bonds6

About 2-(4-butylphenyl)-2-piperazin-1-ylacetamide

2-(4-butylphenyl)-2-piperazin-1-ylacetamide (PubChem CID 70044292) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(4-butylphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-2-piperazin-1-ylacetamide
PubChem CID70044292
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(4-butylphenyl)-2-piperazin-1-ylacetamide
SMILESCCCCc1ccc(C(C(N)=O)N2CCNCC2)cc1
InChIInChI=1S/C16H25N3O/c1-2-3-4-13-5-7-14(8-6-13)15(16(17)20)19-11-9-18-10-12-19/h5-8,15,18H,2-4,9-12H2,1H3,(H2,17,20)
InChIKeyUEEOJMWQYOVGOB-UHFFFAOYSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-butylphenyl)propyl]piperazine
CID 112512741
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119403589
2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide
CID 54892096
2-(4-butylphenyl)propanamide
CID 90926449
piperazin-1-yl-(4-propylphenyl)methanamine
CID 116939744
N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide
CID 83978321
2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide
CID 60995776
ethyl 2-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 60992975
2-(2,3-dihydro-1-benzofuran-5-yl)-2-piperazin-1-ylacetamide
CID 54892195
ethyl 2-(6-methyl-3-pyridinyl)-2-piperazin-1-ylacetate
CID 104822559

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of 2-(4-butylphenyl)-2-piperazin-1-ylacetamide (CID 70044292) is 2-(4-butylphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for 2-(4-butylphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for 2-(4-butylphenyl)-2-piperazin-1-ylacetamide is CCCCc1ccc(C(C(N)=O)N2CCNCC2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is UEEOJMWQYOVGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-3-4-13-5-7-14(8-6-13)15(16(17)20)19-11-9-18-10-12-19/h5-8,15,18H,2-4,9-12H2,1H3,(H2,17,20).
What are the key properties of 2-(4-butylphenyl)-2-piperazin-1-ylacetamide?
2-(4-butylphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 275.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 70044292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).