4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide

C14H19N3O4 — CID 108892305

IUPAC4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1OCNC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C14H19N3O4/c1-20-12-4-2-3-5-13(12)21-10-15-14(19)17-8-6-16(11-18)7-9-17/h2-5,11H,6-10H2,1H3,(H,15,19)
InChIKeyVJKSKJFRXCDWRQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.52
Rot. Bonds5

About 4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide

4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide (PubChem CID 108892305) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide
PubChem CID108892305
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1OCNC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C14H19N3O4/c1-20-12-4-2-3-5-13(12)21-10-15-14(19)17-8-6-16(11-18)7-9-17/h2-5,11H,6-10H2,1H3,(H,15,19)
InChIKeyVJKSKJFRXCDWRQ-UHFFFAOYSA-N
XLogP0.52
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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
N-[(2-ethylphenoxy)methyl]-4-formylpiperazine-1-carboxamide
CID 108893412
ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
CID 108892364
N-[(2-methoxyphenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108892372
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
4-acetyl-N-(phenoxymethyl)piperazine-1-carboxamide
CID 108888799
3-(4-formylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109053757
4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109046351
4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278823
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
CID 112970333

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide (CID 108892305) is 4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide is COc1ccccc1OCNC(=O)N1CCN(C=O)CC1.
What is the InChIKey of 4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide?
The InChIKey is VJKSKJFRXCDWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-20-12-4-2-3-5-13(12)21-10-15-14(19)17-8-6-16(11-18)7-9-17/h2-5,11H,6-10H2,1H3,(H,15,19).
What are the key properties of 4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide?
4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-[(2-methoxyphenoxy)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 108892305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).