1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one

C15H28N2O2 — CID 138648009

IUPAC1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one
SMILESCC(=O)N1CCN(C(=O)CCC(C)(C)C(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)15(4,5)7-6-14(19)17-10-8-16(9-11-17)13(3)18/h12H,6-11H2,1-5H3
InChIKeyXIMWDSDKCGENDI-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one

1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one (PubChem CID 138648009) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one
PubChem CID138648009
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one
SMILESCC(=O)N1CCN(C(=O)CCC(C)(C)C(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)15(4,5)7-6-14(19)17-10-8-16(9-11-17)13(3)18/h12H,6-11H2,1-5H3
InChIKeyXIMWDSDKCGENDI-UHFFFAOYSA-N
XLogP2.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one
CID 145404490
1-(4-acetylpiperazin-1-yl)-3-(tert-butylamino)propan-1-one
CID 60894223
[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium
CID 7023643
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
1-(4-acetylpiperazin-1-yl)-3-bromopropan-1-one;bromomethane
CID 143056300
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115134
1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 128927567
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
1-(4-acetyl-1,4-diazepan-1-yl)-5-chloropentan-1-one
CID 55004274
1-(4-acetyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
CID 110738741
1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione
CID 65416769
1-[4-[3-(tert-butylamino)propanoyl]piperazin-1-yl]-4,4-dimethylpentan-1-one
CID 167119689

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one (CID 138648009) is 1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one is CC(=O)N1CCN(C(=O)CCC(C)(C)C(C)C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one?
The InChIKey is XIMWDSDKCGENDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)15(4,5)7-6-14(19)17-10-8-16(9-11-17)13(3)18/h12H,6-11H2,1-5H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one?
1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one has a molecular weight of 268.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one is sourced from PubChem (CID 138648009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).