methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate

C16H28N2O3 — CID 95292536

IUPACmethyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)N1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-13(16(20)21-2)17-8-10-18(11-9-17)15(19)12-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyCBWQYIQFKWLHPT-CYBMUJFWSA-N
MW296.41 g/mol
LogP1.66
Rot. Bonds4

About methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate

methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate (PubChem CID 95292536) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate
PubChem CID95292536
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)N1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-13(16(20)21-2)17-8-10-18(11-9-17)15(19)12-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyCBWQYIQFKWLHPT-CYBMUJFWSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95318440
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 55202553
methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate
CID 60965667
ethyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 40525482
ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 3788456
1-[4-(1-bromoethyl)piperidin-1-yl]-2-cycloheptylethanone
CID 106839467
ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate
CID 134032765
2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 62781702
2-cyclopentyl-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 121091445

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate (CID 95292536) is methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate is COC(=O)[C@@H](C)N1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate?
The InChIKey is CBWQYIQFKWLHPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(16(20)21-2)17-8-10-18(11-9-17)15(19)12-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate?
methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate has a molecular weight of 296.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 95292536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).