N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide

C15H25N3O2+2 — CID 8896631

IUPACN-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)C[NH+]2CC[NH+](C)CC2)cc1
InChIInChI=1S/C15H23N3O2/c1-3-20-14-6-4-13(5-7-14)16-15(19)12-18-10-8-17(2)9-11-18/h4-7H,3,8-12H2,1-2H3,(H,16,19)/p+2
InChIKeyMRWXNWVNTZWBQV-UHFFFAOYSA-P
MW279.38 g/mol
LogP-1.56
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide

N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide (PubChem CID 8896631) has the molecular formula C15H25N3O2+2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
PubChem CID8896631
Molecular FormulaC15H25N3O2+2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)C[NH+]2CC[NH+](C)CC2)cc1
InChIInChI=1S/C15H23N3O2/c1-3-20-14-6-4-13(5-7-14)16-15(19)12-18-10-8-17(2)9-11-18/h4-7H,3,8-12H2,1-2H3,(H,16,19)/p+2
InChIKeyMRWXNWVNTZWBQV-UHFFFAOYSA-P
XLogP-1.56
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931548
1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8530759
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8703710
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8896609
(2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250047
N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8995685
2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide
CID 9260208
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
2-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719175
2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide
CID 9260155
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(2,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide
CID 9217416

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide (CID 8896631) is N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide is CCOc1ccc(NC(=O)C[NH+]2CC[NH+](C)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The InChIKey is MRWXNWVNTZWBQV-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H23N3O2/c1-3-20-14-6-4-13(5-7-14)16-15(19)12-18-10-8-17(2)9-11-18/h4-7H,3,8-12H2,1-2H3,(H,16,19)/p+2.
What are the key properties of N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide has a molecular weight of 279.38 g/mol, XLogP of -1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide is sourced from PubChem (CID 8896631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).