N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide

C14H19N3O3 — CID 108988617

IUPACN-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C14H19N3O3/c1-2-20-13-6-4-3-5-12(13)15-14(19)17-9-7-16(11-18)8-10-17/h3-6,11H,2,7-10H2,1H3,(H,15,19)
InChIKeyYOCSLEPNLLVBND-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.39
Rot. Bonds4

About N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide

N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide (PubChem CID 108988617) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
PubChem CID108988617
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C14H19N3O3/c1-2-20-13-6-4-3-5-12(13)15-14(19)17-9-7-16(11-18)8-10-17/h3-6,11H,2,7-10H2,1H3,(H,15,19)
InChIKeyYOCSLEPNLLVBND-UHFFFAOYSA-N
XLogP1.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147660
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 122334873
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538
N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254553
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
CID 90510786

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide (CID 108988617) is N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCN(C=O)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide?
The InChIKey is YOCSLEPNLLVBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-20-13-6-4-3-5-12(13)15-14(19)17-9-7-16(11-18)8-10-17/h3-6,11H,2,7-10H2,1H3,(H,15,19).
What are the key properties of N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide?
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide is sourced from PubChem (CID 108988617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).