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

C17H24N2O3 — CID 99623799

IUPACethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(CC)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-14-5-7-15(8-6-14)13-16(20)18-9-11-19(12-10-18)17(21)22-4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyCULJAXAJIDCEDE-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.09
Rot. Bonds4

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

ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate (PubChem CID 99623799) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate
PubChem CID99623799
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(CC)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-14-5-7-15(8-6-14)13-16(20)18-9-11-19(12-10-18)17(21)22-4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyCULJAXAJIDCEDE-UHFFFAOYSA-N
XLogP2.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
ethyl 4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808925
ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
CID 99705064
ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate
CID 110803487
ethyl 4-[2-(4-propan-2-ylsulfanylphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809130
ethyl 4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808927
ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate
CID 113125387
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579
ethyl 4-[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]piperazine-1-carboxylate
CID 30283129
ethyl 4-[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]piperazine-1-carboxylate
CID 7871826
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
ethyl 4-[2-(1-methylbenzimidazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110772928

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate (CID 99623799) is ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2ccc(CC)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate?
The InChIKey is CULJAXAJIDCEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-14-5-7-15(8-6-14)13-16(20)18-9-11-19(12-10-18)17(21)22-4-2/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.09, 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-ethylphenyl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 99623799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).