1-(4-phenylbutan-2-yl)piperazin-2-one

C14H20N2O — CID 64566624

IUPAC1-(4-phenylbutan-2-yl)piperazin-2-one
SMILESCC(CCc1ccccc1)N1CCNCC1=O
InChIInChI=1S/C14H20N2O/c1-12(16-10-9-15-11-14(16)17)7-8-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyHXQQTBHTOLGWPC-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.44
Rot. Bonds4

About 1-(4-phenylbutan-2-yl)piperazin-2-one

1-(4-phenylbutan-2-yl)piperazin-2-one (PubChem CID 64566624) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(4-phenylbutan-2-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-phenylbutan-2-yl)piperazin-2-one
PubChem CID64566624
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(4-phenylbutan-2-yl)piperazin-2-one
SMILESCC(CCc1ccccc1)N1CCNCC1=O
InChIInChI=1S/C14H20N2O/c1-12(16-10-9-15-11-14(16)17)7-8-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyHXQQTBHTOLGWPC-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-ylpiperazin-2-one;hydrobromide
CID 141488903
2-methyl-1-(4-phenylbutan-2-yl)piperazine
CID 64932306
1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
CID 66202032
[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168680206
4-phenyl-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoic acid
CID 141113240
(3aR,6aS)-5-(4-phenylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042255
1-[(4Z)-hepta-4,6-dien-2-yl]piperazin-2-one
CID 138483667
S-[[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168665881
1-butan-2-yl-1,4-diazocan-2-one
CID 117016136
1-(1-phenylpropan-2-yl)piperazine-2,5-dione
CID 64955615
1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine
CID 116931963
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutan-2-yl)piperazin-2-one?
The IUPAC name of 1-(4-phenylbutan-2-yl)piperazin-2-one (CID 64566624) is 1-(4-phenylbutan-2-yl)piperazin-2-one.
What is the SMILES notation for 1-(4-phenylbutan-2-yl)piperazin-2-one?
The canonical SMILES for 1-(4-phenylbutan-2-yl)piperazin-2-one is CC(CCc1ccccc1)N1CCNCC1=O.
What is the InChIKey of 1-(4-phenylbutan-2-yl)piperazin-2-one?
The InChIKey is HXQQTBHTOLGWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(16-10-9-15-11-14(16)17)7-8-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3.
What are the key properties of 1-(4-phenylbutan-2-yl)piperazin-2-one?
1-(4-phenylbutan-2-yl)piperazin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutan-2-yl)piperazin-2-one is sourced from PubChem (CID 64566624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).