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

C15H21N3O5 — CID 108892416

IUPACmethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)NCOc2ccccc2OC)CC1
InChIInChI=1S/C15H21N3O5/c1-21-12-5-3-4-6-13(12)23-11-16-14(19)17-7-9-18(10-8-17)15(20)22-2/h3-6H,7-11H2,1-2H3,(H,16,19)
InChIKeyQWXRJGWTWMLTRT-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.13
Rot. Bonds4

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

methyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate (PubChem CID 108892416) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
PubChem CID108892416
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Namemethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)NCOc2ccccc2OC)CC1
InChIInChI=1S/C15H21N3O5/c1-21-12-5-3-4-6-13(12)23-11-16-14(19)17-7-9-18(10-8-17)15(20)22-2/h3-6H,7-11H2,1-2H3,(H,16,19)
InChIKeyQWXRJGWTWMLTRT-UHFFFAOYSA-N
XLogP1.13
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.13
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

ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
CID 108892364
4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide
CID 108892305
N-[(2-methoxyphenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108892372
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
N-[(2-ethylphenoxy)methyl]-4-formylpiperazine-1-carboxamide
CID 108893412
4-acetyl-N-(phenoxymethyl)piperazine-1-carboxamide
CID 108888799
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132987
4-(2-aminoethyl)-N-[(2,3-dimethylphenoxy)methyl]piperazine-1-carboxamide
CID 108878343

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate (CID 108892416) is methyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)NCOc2ccccc2OC)CC1.
What is the InChIKey of methyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate?
The InChIKey is QWXRJGWTWMLTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-21-12-5-3-4-6-13(12)23-11-16-14(19)17-7-9-18(10-8-17)15(20)22-2/h3-6H,7-11H2,1-2H3,(H,16,19).
What are the key properties of methyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate?
methyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108892416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).