ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate

C16H23N3O5 — CID 108892364

IUPACethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCOc2ccccc2OC)CC1
InChIInChI=1S/C16H23N3O5/c1-3-23-16(21)19-10-8-18(9-11-19)15(20)17-12-24-14-7-5-4-6-13(14)22-2/h4-7H,3,8-12H2,1-2H3,(H,17,20)
InChIKeySSNTZKDFYCXLIV-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.52
Rot. Bonds5

About ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate

ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate (PubChem CID 108892364) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
PubChem CID108892364
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Nameethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCOc2ccccc2OC)CC1
InChIInChI=1S/C16H23N3O5/c1-3-23-16(21)19-10-8-18(9-11-19)15(20)17-12-24-14-7-5-4-6-13(14)22-2/h4-7H,3,8-12H2,1-2H3,(H,17,20)
InChIKeySSNTZKDFYCXLIV-UHFFFAOYSA-N
XLogP1.52
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
CID 108892416
4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide
CID 108892305
N-[(2-methoxyphenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108892372
ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate
CID 110348517
ethyl 4-[2-[(2,6-dimethoxybenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 110285411
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
N-[(2-ethylphenoxy)methyl]-4-formylpiperazine-1-carboxamide
CID 108893412
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
ethyl 4-(2-anilinoethylcarbamoyl)piperazine-1-carboxylate
CID 6734798
ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 38151040

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate (CID 108892364) is ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)NCOc2ccccc2OC)CC1.
What is the InChIKey of ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate?
The InChIKey is SSNTZKDFYCXLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-3-23-16(21)19-10-8-18(9-11-19)15(20)17-12-24-14-7-5-4-6-13(14)22-2/h4-7H,3,8-12H2,1-2H3,(H,17,20).
What are the key properties of ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate?
ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108892364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).