2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

C17H28N2O3 — CID 71944684

IUPAC2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H28N2O3/c20-16(13-14-5-2-1-3-6-14)18-8-10-19(11-9-18)17(21)15-7-4-12-22-15/h14-15H,1-13H2
InChIKeyPSXFOKIPRCXXKZ-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.81
Rot. Bonds3

About 2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 71944684) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID71944684
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H28N2O3/c20-16(13-14-5-2-1-3-6-14)18-8-10-19(11-9-18)17(21)15-7-4-12-22-15/h14-15H,1-13H2
InChIKeyPSXFOKIPRCXXKZ-UHFFFAOYSA-N
XLogP1.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone
CID 120791454
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (CID 71944684) is 2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is PSXFOKIPRCXXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c20-16(13-14-5-2-1-3-6-14)18-8-10-19(11-9-18)17(21)15-7-4-12-22-15/h14-15H,1-13H2.
What are the key properties of 2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 308.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71944684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).