1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate

C17H24N2O4 — CID 6735988

IUPAC1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate
SMILESCCOC(=O)N1CCN(C(=O)OCCc2ccc(C)cc2)CC1
InChIInChI=1S/C17H24N2O4/c1-3-22-16(20)18-9-11-19(12-10-18)17(21)23-13-8-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyUEAVQMMHYSRNOJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.45
Rot. Bonds4

About 1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate

1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate (PubChem CID 6735988) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate
PubChem CID6735988
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate
SMILESCCOC(=O)N1CCN(C(=O)OCCc2ccc(C)cc2)CC1
InChIInChI=1S/C17H24N2O4/c1-3-22-16(20)18-9-11-19(12-10-18)17(21)23-13-8-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyUEAVQMMHYSRNOJ-UHFFFAOYSA-N
XLogP2.45
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
2-(4-methylphenyl)ethyl 4-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carboxylate
CID 6736613
ethyl propanoate;2-(4-methylphenyl)ethyl propanoate
CID 156540203
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
1-O-ethyl 4-O-[4-(4-nitrophenyl)butyl] piperazine-1,4-dicarboxylate
CID 6733776
ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate
CID 99623799
ethyl 4-[1-[(4-methylphenyl)methylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108975230
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
ethyl 4-[[N'-[2-(4-methylphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111814089
ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate
CID 3019411

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate?
The IUPAC name of 1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate (CID 6735988) is 1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate?
The canonical SMILES for 1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate is CCOC(=O)N1CCN(C(=O)OCCc2ccc(C)cc2)CC1.
What is the InChIKey of 1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate?
The InChIKey is UEAVQMMHYSRNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-22-16(20)18-9-11-19(12-10-18)17(21)23-13-8-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate?
1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate is sourced from PubChem (CID 6735988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).