N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide

C19H26N5O+ — CID 5014296

IUPACN-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H25N5O/c1-22(2)17-8-6-16(7-9-17)21-19(25)15-23-11-13-24(14-12-23)18-5-3-4-10-20-18/h3-10H,11-15H2,1-2H3,(H,21,25)/p+1
InChIKeySRUOLTXXQCIGRM-UHFFFAOYSA-O
MW340.45 g/mol
LogP0.49
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide

N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide (PubChem CID 5014296) has the molecular formula C19H26N5O+ and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide
PubChem CID5014296
Molecular FormulaC19H26N5O+
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H25N5O/c1-22(2)17-8-6-16(7-9-17)21-19(25)15-23-11-13-24(14-12-23)18-5-3-4-10-20-18/h3-10H,11-15H2,1-2H3,(H,21,25)/p+1
InChIKeySRUOLTXXQCIGRM-UHFFFAOYSA-O
XLogP0.49
TPSA52.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 6259677
N-(4-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 7436916
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
N-(3,4-dimethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542754
N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 2964221
N-[4-(dimethylamino)phenyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108951025
2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9338914
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
N-(phenylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8595607
N,N-dimethyl-4-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide
CID 8546386
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004730
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide (CID 5014296) is N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide is CN(C)c1ccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is SRUOLTXXQCIGRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N5O/c1-22(2)17-8-6-16(7-9-17)21-19(25)15-23-11-13-24(14-12-23)18-5-3-4-10-20-18/h3-10H,11-15H2,1-2H3,(H,21,25)/p+1.
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 5014296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).