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

C19H28N2O4 — CID 108569933

IUPAC2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
SMILESCCc1ccccc1OCC(=O)N1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C19H28N2O4/c1-4-16-7-5-6-8-17(16)24-14-18(22)20-9-11-21(12-10-20)19(23)25-13-15(2)3/h5-8,15H,4,9-14H2,1-3H3
InChIKeyLXYMMEPREGCPJA-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.56
Rot. Bonds6

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

2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate (PubChem CID 108569933) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
PubChem CID108569933
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
SMILESCCc1ccccc1OCC(=O)N1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C19H28N2O4/c1-4-16-7-5-6-8-17(16)24-14-18(22)20-9-11-21(12-10-20)19(23)25-13-15(2)3/h5-8,15H,4,9-14H2,1-3H3
InChIKeyLXYMMEPREGCPJA-UHFFFAOYSA-N
XLogP2.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108569944
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
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-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976
1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 108569920
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-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023413
2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555635
4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 55599509

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate (CID 108569933) is 2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate is CCc1ccccc1OCC(=O)N1CCN(C(=O)OCC(C)C)CC1.
What is the InChIKey of 2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate?
The InChIKey is LXYMMEPREGCPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-16-7-5-6-8-17(16)24-14-18(22)20-9-11-21(12-10-20)19(23)25-13-15(2)3/h5-8,15H,4,9-14H2,1-3H3.
What are the key properties of 2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate?
2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 108569933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).