ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate

C21H30N2O3 — CID 110803487

IUPACethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C21H30N2O3/c1-2-26-21(25)23-14-12-22(13-15-23)20(24)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h8-11,18H,2-7,12-16H2,1H3
InChIKeyCXLRCJWFBOCUDP-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.58
Rot. Bonds4

About ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate (PubChem CID 110803487) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate
PubChem CID110803487
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Nameethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C21H30N2O3/c1-2-26-21(25)23-14-12-22(13-15-23)20(24)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h8-11,18H,2-7,12-16H2,1H3
InChIKeyCXLRCJWFBOCUDP-UHFFFAOYSA-N
XLogP3.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-ethoxyphenyl)ethanone
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methyl 2-(4-cycloheptylphenyl)acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate (CID 110803487) is ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate?
The InChIKey is CXLRCJWFBOCUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-26-21(25)23-14-12-22(13-15-23)20(24)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h8-11,18H,2-7,12-16H2,1H3.
What are the key properties of ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate has a molecular weight of 358.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110803487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).