1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one

C14H26N2O2 — CID 145133773

IUPAC1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H26N2O2/c1-4-6-7-13(5-2)14(18)16-10-8-15(9-11-16)12(3)17/h13H,4-11H2,1-3H3
InChIKeyAZKJQZDMDUMRDY-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.89
Rot. Bonds5

About 1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one

1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one (PubChem CID 145133773) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
PubChem CID145133773
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H26N2O2/c1-4-6-7-13(5-2)14(18)16-10-8-15(9-11-16)12(3)17/h13H,4-11H2,1-3H3
InChIKeyAZKJQZDMDUMRDY-UHFFFAOYSA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
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2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
CID 63106212
1-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-2-ethylhexan-1-one
CID 80665419
(2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
CID 40579380
1-(3-bromopyrrolidin-1-yl)-2-ethylhexan-1-one
CID 80677700
2-ethyl-1-(4-prop-2-enyl-1,4-diazepan-1-yl)hexan-1-one
CID 110280914
1-(azetidin-1-yl)-2-ethylpentan-1-one
CID 146417085
1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one
CID 113072769
1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one
CID 166996653
1-(3,5-dimethylpiperazin-1-yl)-2-ethylhexan-1-one
CID 63873271
(2S)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537907

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one (CID 145133773) is 1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one is CCCCC(CC)C(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one?
The InChIKey is AZKJQZDMDUMRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-6-7-13(5-2)14(18)16-10-8-15(9-11-16)12(3)17/h13H,4-11H2,1-3H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one?
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.89, 5 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)-2-ethylhexan-1-one is sourced from PubChem (CID 145133773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).