prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate

C18H24N2O4 — CID 108569944

IUPACprop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C(=O)COc2ccccc2CC)CC1
InChIInChI=1S/C18H24N2O4/c1-3-13-23-18(22)20-11-9-19(10-12-20)17(21)14-24-16-8-6-5-7-15(16)4-2/h3,5-8H,1,4,9-14H2,2H3
InChIKeyBNNOSECPERETMI-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.09
Rot. Bonds6

About prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate

prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate (PubChem CID 108569944) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
PubChem CID108569944
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameprop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C(=O)COc2ccccc2CC)CC1
InChIInChI=1S/C18H24N2O4/c1-3-13-23-18(22)20-11-9-19(10-12-20)17(21)14-24-16-8-6-5-7-15(16)4-2/h3,5-8H,1,4,9-14H2,2H3
InChIKeyBNNOSECPERETMI-UHFFFAOYSA-N
XLogP2.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108569933
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
ethyl 4-[2-(2-methylphenoxy)acetyl]-1,4-diazepane-1-carboxylate
CID 110799178
3-[4-[2-(2-ethylphenoxy)acetyl]-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543385
2-[2-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976
1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 108569920
4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 55599509
N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55495246
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate (CID 108569944) is prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate is C=CCOC(=O)N1CCN(C(=O)COc2ccccc2CC)CC1.
What is the InChIKey of prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate?
The InChIKey is BNNOSECPERETMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-13-23-18(22)20-11-9-19(10-12-20)17(21)14-24-16-8-6-5-7-15(16)4-2/h3,5-8H,1,4,9-14H2,2H3.
What are the key properties of prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate?
prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 108569944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).