5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one

C20H30N2O2 — CID 172566025

IUPAC5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one
SMILESCCC(=O)c1ccc(N2CCN(C(=O)CCCC(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-4-19(23)17-8-10-18(11-9-17)21-12-14-22(15-13-21)20(24)7-5-6-16(2)3/h8-11,16H,4-7,12-15H2,1-3H3
InChIKeyDGIKGLVKGGXYBU-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.75
Rot. Bonds7

About 5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one

5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one (PubChem CID 172566025) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one
PubChem CID172566025
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one
SMILESCCC(=O)c1ccc(N2CCN(C(=O)CCCC(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-4-19(23)17-8-10-18(11-9-17)21-12-14-22(15-13-21)20(24)7-5-6-16(2)3/h8-11,16H,4-7,12-15H2,1-3H3
InChIKeyDGIKGLVKGGXYBU-UHFFFAOYSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-[4-[4-(2-methylpropanoyl)phenyl]piperazin-1-yl]heptan-1-one
CID 166101181
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 112763089
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
CID 61252118
ethyl 4-(4-pentanoylpiperazin-1-yl)benzoate
CID 110672913
3-methyl-1-[4-(3-propanoylphenyl)piperazin-1-yl]butan-1-one
CID 166101353
1-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 7494455
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
1-(4-propanoylphenyl)piperidin-4-one
CID 83779934
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of 5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one (CID 172566025) is 5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for 5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one is CCC(=O)c1ccc(N2CCN(C(=O)CCCC(C)C)CC2)cc1.
What is the InChIKey of 5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one?
The InChIKey is DGIKGLVKGGXYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-19(23)17-8-10-18(11-9-17)21-12-14-22(15-13-21)20(24)7-5-6-16(2)3/h8-11,16H,4-7,12-15H2,1-3H3.
What are the key properties of 5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one?
5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one has a molecular weight of 330.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 172566025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).