ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate

C16H28N2O3 — CID 134032765

IUPACethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-2-21-16(20)13-17-8-10-18(11-9-17)15(19)12-14-6-4-3-5-7-14/h14H,2-13H2,1H3
InChIKeyNIUMIVVTINFJMC-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.66
Rot. Bonds5

About ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate

ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate (PubChem CID 134032765) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate
PubChem CID134032765
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nameethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-2-21-16(20)13-17-8-10-18(11-9-17)15(19)12-14-6-4-3-5-7-14/h14H,2-13H2,1H3
InChIKeyNIUMIVVTINFJMC-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

ethyl 2-[4-[[1-(2-cyclohexylacetyl)piperidin-4-yl]methyl]piperazin-1-yl]acetate
CID 176578183
ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate
CID 142887081
ethyl 2-(azocan-1-yl)acetate
CID 25219274
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate
CID 61029365
ethyl 2-(7-azaspiro[3.5]nonan-7-yl)acetate
CID 71244403
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
ethyl 2-(4-propylpiperidin-1-yl)acetate
CID 54019773
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 91255593

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate (CID 134032765) is ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate is CCOC(=O)CN1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate?
The InChIKey is NIUMIVVTINFJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-21-16(20)13-17-8-10-18(11-9-17)15(19)12-14-6-4-3-5-7-14/h14H,2-13H2,1H3.
What are the key properties of ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate?
ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate has a molecular weight of 296.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate is sourced from PubChem (CID 134032765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).