(2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid

C18H24N2O3 — CID 59992050

IUPAC(2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC[C@H]1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N2O3/c21-17(14-6-2-1-3-7-14)20-12-10-19(11-13-20)16-9-5-4-8-15(16)18(22)23/h1-3,6-7,15-16H,4-5,8-13H2,(H,22,23)/t15?,16-/m1/s1
InChIKeyWQQJDYUYMRDSHX-OEMAIJDKSA-N
MW316.40 g/mol
LogP2.09
Rot. Bonds3

About (2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid

(2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 59992050) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID59992050
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC[C@H]1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N2O3/c21-17(14-6-2-1-3-7-14)20-12-10-19(11-13-20)16-9-5-4-8-15(16)18(22)23/h1-3,6-7,15-16H,4-5,8-13H2,(H,22,23)/t15?,16-/m1/s1
InChIKeyWQQJDYUYMRDSHX-OEMAIJDKSA-N
XLogP2.09
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-tert-butyl (1R,2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 12068985
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]cyclohexane-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 173210178
trans-(1R,2R)-2-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 173210055
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
[(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone
CID 125474477
2-(3,4-dihydro-1H-isoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 63067209
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
[(4S,5S)-4-hydroxy-5-(4-methyl-1,4-diazepan-1-yl)azepan-1-yl]-phenylmethanone
CID 110128311
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
cyclohexane-1,2-dicarboxylic acid;diphenylmethanone
CID 175435053
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of (2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid (CID 59992050) is (2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for (2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for (2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC[C@H]1N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is WQQJDYUYMRDSHX-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(14-6-2-1-3-7-14)20-12-10-19(11-13-20)16-9-5-4-8-15(16)18(22)23/h1-3,6-7,15-16H,4-5,8-13H2,(H,22,23)/t15?,16-/m1/s1.
What are the key properties of (2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
(2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 59992050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).