N-(4-ethoxyphenyl)piperazine-1-carboxamide

C13H19N3O2 — CID 82087160

IUPACN-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H19N3O2/c1-2-18-12-5-3-11(4-6-12)15-13(17)16-9-7-14-8-10-16/h3-6,14H,2,7-10H2,1H3,(H,15,17)
InChIKeyLIZJGQANTCERJA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.52
Rot. Bonds3

About N-(4-ethoxyphenyl)piperazine-1-carboxamide

N-(4-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 82087160) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID82087160
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H19N3O2/c1-2-18-12-5-3-11(4-6-12)15-13(17)16-9-7-14-8-10-16/h3-6,14H,2,7-10H2,1H3,(H,15,17)
InChIKeyLIZJGQANTCERJA-UHFFFAOYSA-N
XLogP1.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
CID 7165091
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide
CID 95481288
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 23852476
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride
CID 165429741
tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 174768397

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)piperazine-1-carboxamide (CID 82087160) is N-(4-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCNCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is LIZJGQANTCERJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-12-5-3-11(4-6-12)15-13(17)16-9-7-14-8-10-16/h3-6,14H,2,7-10H2,1H3,(H,15,17).
What are the key properties of N-(4-ethoxyphenyl)piperazine-1-carboxamide?
N-(4-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 82087160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).