4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one

C15H28N2O2 — CID 118137210

IUPAC4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)5-6-15(19)17-9-7-16(8-10-17)11-14(18)13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyMFKFLZIKKPKXLX-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds6

About 4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one

4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one (PubChem CID 118137210) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one
PubChem CID118137210
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)5-6-15(19)17-9-7-16(8-10-17)11-14(18)13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyMFKFLZIKKPKXLX-UHFFFAOYSA-N
XLogP1.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one with MolForge

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Related Compounds

4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one
CID 171725805
3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-4-methylpentan-1-one
CID 43251875
2-methyl-2-[4-(4-methylpentanoyl)piperazin-1-yl]propanethioamide
CID 63343518
[4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174494816
1-amino-3-methylbutan-2-one;1-amino-4-methylpentan-3-one;3-methyl-1-piperazin-1-ylbutan-1-one;3-methyl-1-piperazin-1-ylbutan-2-one;4-methyl-1-piperazin-1-ylpentan-1-one;4-methyl-1-piperazin-1-ylpentan-3-one;bis(2-methyl-1-piperazin-1-ylpropan-1-one)
CID 161016065
4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119562078

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one (CID 118137210) is 4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one is CC(C)CCC(=O)N1CCN(CC(=O)C(C)C)CC1.
What is the InChIKey of 4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one?
The InChIKey is MFKFLZIKKPKXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)5-6-15(19)17-9-7-16(8-10-17)11-14(18)13(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one?
4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 118137210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).