2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide

C16H23N3O — CID 103162243

IUPAC2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide
SMILESO=C(CC1CCC1)Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C16H23N3O/c20-16(12-13-2-1-3-13)18-14-4-6-15(7-5-14)19-10-8-17-9-11-19/h4-7,13,17H,1-3,8-12H2,(H,18,20)
InChIKeyCIBCYOWELOSMNF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.22
Rot. Bonds4

About 2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide

2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide (PubChem CID 103162243) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide
PubChem CID103162243
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide
SMILESO=C(CC1CCC1)Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C16H23N3O/c20-16(12-13-2-1-3-13)18-14-4-6-15(7-5-14)19-10-8-17-9-11-19/h4-7,13,17H,1-3,8-12H2,(H,18,20)
InChIKeyCIBCYOWELOSMNF-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 64617395
2-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 119260362
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61030185
2-hydroxy-N-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]acetamide
CID 71220306
2-cyclobutyl-N-(4-formylphenyl)acetamide
CID 106912258
N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 79160722
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42335959
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281
N-(4-fluorophenyl)-2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetamide
CID 121319959
N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66423032

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide?
The IUPAC name of 2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide (CID 103162243) is 2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide?
The canonical SMILES for 2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide is O=C(CC1CCC1)Nc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide?
The InChIKey is CIBCYOWELOSMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(12-13-2-1-3-13)18-14-4-6-15(7-5-14)19-10-8-17-9-11-19/h4-7,13,17H,1-3,8-12H2,(H,18,20).
What are the key properties of 2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide?
2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide has a molecular weight of 273.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide is sourced from PubChem (CID 103162243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).