[4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate

C15H28N2O3 — CID 174494816

IUPAC[4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)CCC(=O)N1CCN(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)6-7-13(18)16-8-10-17(11-9-16)20-14(19)15(3,4)5/h12H,6-11H2,1-5H3
InChIKeyBYFSNVDEJRQZEV-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.07
Rot. Bonds4

About [4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate

[4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174494816) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is [4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate
PubChem CID174494816
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name[4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)CCC(=O)N1CCN(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)6-7-13(18)16-8-10-17(11-9-16)20-14(19)15(3,4)5/h12H,6-11H2,1-5H3
InChIKeyBYFSNVDEJRQZEV-UHFFFAOYSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-bromoacetyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174607593
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one
CID 118137210
2-methyl-2-[4-(4-methylpentanoyl)piperazin-1-yl]propanethioamide
CID 63343518
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
1-(4-hydroxyiminopiperidin-1-yl)-4-methylpentan-1-one
CID 28780585
[2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate
CID 55311881
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 112763089
(3-bromoazetidin-1-yl) 2,2-dimethylpropanoate
CID 174717988
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
[4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 175276230

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate (CID 174494816) is [4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate is CC(C)CCC(=O)N1CCN(OC(=O)C(C)(C)C)CC1.
What is the InChIKey of [4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is BYFSNVDEJRQZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)6-7-13(18)16-8-10-17(11-9-16)20-14(19)15(3,4)5/h12H,6-11H2,1-5H3.
What are the key properties of [4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate?
[4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 284.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174494816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).