N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide

C15H24N3O2+ — CID 7165091

IUPACN-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC[NH+](CC)CC2)cc1
InChIInChI=1S/C15H23N3O2/c1-3-17-9-11-18(12-10-17)15(19)16-13-5-7-14(8-6-13)20-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,16,19)/p+1
InChIKeyVFZSTTTZKDFCQO-UHFFFAOYSA-O
MW278.38 g/mol
LogP0.84
Rot. Bonds4

About N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide

N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide (PubChem CID 7165091) has the molecular formula C15H24N3O2+ and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
PubChem CID7165091
Molecular FormulaC15H24N3O2+
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC NameN-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC[NH+](CC)CC2)cc1
InChIInChI=1S/C15H23N3O2/c1-3-17-9-11-18(12-10-17)15(19)16-13-5-7-14(8-6-13)20-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,16,19)/p+1
InChIKeyVFZSTTTZKDFCQO-UHFFFAOYSA-O
XLogP0.84
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide
CID 9166248
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 23852476
methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113775
N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113781
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 146078584

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide (CID 7165091) is N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide is CCOc1ccc(NC(=O)N2CC[NH+](CC)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide?
The InChIKey is VFZSTTTZKDFCQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N3O2/c1-3-17-9-11-18(12-10-17)15(19)16-13-5-7-14(8-6-13)20-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,16,19)/p+1.
What are the key properties of N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide?
N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide is sourced from PubChem (CID 7165091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).