N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

C20H26N3O+ — CID 2060925

IUPACN-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESCc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1C
InChIInChI=1S/C20H25N3O/c1-16-7-6-10-19(17(16)2)21-20(24)15-22-11-13-23(14-12-22)18-8-4-3-5-9-18/h3-10H,11-15H2,1-2H3,(H,21,24)/p+1
InChIKeyLJMSJZTZEVVTTE-UHFFFAOYSA-O
MW324.45 g/mol
LogP1.65
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (PubChem CID 2060925) has the molecular formula C20H26N3O+ and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
PubChem CID2060925
Molecular FormulaC20H26N3O+
Molecular Weight324.45 g/mol
Exact Mass324.21
IUPAC NameN-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESCc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1C
InChIInChI=1S/C20H25N3O/c1-16-7-6-10-19(17(16)2)21-20(24)15-22-11-13-23(14-12-22)18-8-4-3-5-9-18/h3-10H,11-15H2,1-2H3,(H,21,24)/p+1
InChIKeyLJMSJZTZEVVTTE-UHFFFAOYSA-O
XLogP1.65
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592404
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-methylphenyl)acetamide
CID 9435104
N-(2-phenylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2653965
N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 9338791
N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6985943
N-(2,3-dimethylphenyl)-2-[4-[(4-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide
CID 9215195
N-(3-chloro-2-methylphenyl)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435108
N-(2,3-dimethylphenyl)-2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-ium-1-yl]acetamide
CID 9111340
N-(2-benzylsulfanylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 9027350
N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8694729
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-propylacetamide
CID 9435238
2-[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9338756

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (CID 2060925) is N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is Cc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is LJMSJZTZEVVTTE-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O/c1-16-7-6-10-19(17(16)2)21-20(24)15-22-11-13-23(14-12-22)18-8-4-3-5-9-18/h3-10H,11-15H2,1-2H3,(H,21,24)/p+1.
What are the key properties of N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 324.45 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 2060925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).