(2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one

C16H26N4O — CID 40579380

IUPAC(2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
SMILESCCCC[C@@H](CC)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H26N4O/c1-3-5-7-14(4-2)15(21)19-10-12-20(13-11-19)16-17-8-6-9-18-16/h6,8-9,14H,3-5,7,10-13H2,1-2H3/t14-/m1/s1
InChIKeyRDROABUEAFHUPX-CQSZACIVSA-N
MW290.41 g/mol
LogP2.34
Rot. Bonds6

About (2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one

(2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one (PubChem CID 40579380) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one.

Molecular Properties

Compound Name(2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
PubChem CID40579380
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
SMILESCCCC[C@@H](CC)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H26N4O/c1-3-5-7-14(4-2)15(21)19-10-12-20(13-11-19)16-17-8-6-9-18-16/h6,8-9,14H,3-5,7,10-13H2,1-2H3/t14-/m1/s1
InChIKeyRDROABUEAFHUPX-CQSZACIVSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
CID 60854019
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 43650100
(2S)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 102428225
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
2-(butylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108993062
2-ethyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 112994682
2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one
CID 17217120
2-(propylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671666
(2R)-1-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]-2-ethylhexan-1-one
CID 92770846
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 163198677
1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-ethylhexan-1-one
CID 5019050

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one?
The IUPAC name of (2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one (CID 40579380) is (2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one.
What is the SMILES notation for (2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one?
The canonical SMILES for (2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one is CCCC[C@@H](CC)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one?
The InChIKey is RDROABUEAFHUPX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-5-7-14(4-2)15(21)19-10-12-20(13-11-19)16-17-8-6-9-18-16/h6,8-9,14H,3-5,7,10-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one?
(2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one is sourced from PubChem (CID 40579380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).