4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide

C14H19N3O3 — CID 108887105

IUPAC4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)NCCOc2ccccc2)CC1
InChIInChI=1S/C14H19N3O3/c18-12-16-7-9-17(10-8-16)14(19)15-6-11-20-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,15,19)
InChIKeyQHGJSWNPWDTMIT-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.55
Rot. Bonds5

About 4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide

4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide (PubChem CID 108887105) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
PubChem CID108887105
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)NCCOc2ccccc2)CC1
InChIInChI=1S/C14H19N3O3/c18-12-16-7-9-17(10-8-16)14(19)15-6-11-20-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,15,19)
InChIKeyQHGJSWNPWDTMIT-UHFFFAOYSA-N
XLogP0.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
CID 112970900
N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
CID 112970333
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
4-formyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974263
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721310
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112972956
N-(3-chloropropyl)-4-formylpiperazine-1-carboxamide
CID 127572595
N-(2-phenoxyethyl)-1,2-oxazolidine-2-carboxamide
CID 100767762

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide (CID 108887105) is 4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide is O=CN1CCN(C(=O)NCCOc2ccccc2)CC1.
What is the InChIKey of 4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide?
The InChIKey is QHGJSWNPWDTMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12-16-7-9-17(10-8-16)14(19)15-6-11-20-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,15,19).
What are the key properties of 4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide?
4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108887105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).