6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione

C16H28N2O2 — CID 169029578

IUPAC6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione
SMILESCC(C)=CN1CCN(C(=O)CCCC(=O)C(C)C)CC1
InChIInChI=1S/C16H28N2O2/c1-13(2)12-17-8-10-18(11-9-17)16(20)7-5-6-15(19)14(3)4/h12,14H,5-11H2,1-4H3
InChIKeyOCAAVNLEFRDKAU-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.45
Rot. Bonds6

About 6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione

6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione (PubChem CID 169029578) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione.

Molecular Properties

Compound Name6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione
PubChem CID169029578
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione
SMILESCC(C)=CN1CCN(C(=O)CCCC(=O)C(C)C)CC1
InChIInChI=1S/C16H28N2O2/c1-13(2)12-17-8-10-18(11-9-17)16(20)7-5-6-15(19)14(3)4/h12,14H,5-11H2,1-4H3
InChIKeyOCAAVNLEFRDKAU-UHFFFAOYSA-N
XLogP2.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-1-piperidin-1-yloctane-1,6-dione
CID 166128163
14-methylpentadecane-2,13-dione
CID 88544438
8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione
CID 170583680
5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione
CID 121449060
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
4-methyl-1-[2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 178062981
1-(4-methylpiperidin-1-yl)hexane-1,5-dione
CID 156884864
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde
CID 82113570
1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione
CID 178063204
4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one
CID 118137210

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione?
The IUPAC name of 6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione (CID 169029578) is 6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione.
What is the SMILES notation for 6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione?
The canonical SMILES for 6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione is CC(C)=CN1CCN(C(=O)CCCC(=O)C(C)C)CC1.
What is the InChIKey of 6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione?
The InChIKey is OCAAVNLEFRDKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(2)12-17-8-10-18(11-9-17)16(20)7-5-6-15(19)14(3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of 6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione?
6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[4-(2-methylprop-1-enyl)piperazin-1-yl]heptane-1,5-dione is sourced from PubChem (CID 169029578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).