N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide

C19H23FN4O — CID 171691064

IUPACN-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCN(c3cccc(F)n3)CC2)c1
InChIInChI=1S/C19H23FN4O/c1-14-10-15(2)12-16(11-14)21-19(25)13-23-6-8-24(9-7-23)18-5-3-4-17(20)22-18/h3-5,10-12H,6-9,13H2,1-2H3,(H,21,25)
InChIKeyDIFTWIMTHGCUOB-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.60
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide

N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide (PubChem CID 171691064) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide
PubChem CID171691064
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCN(c3cccc(F)n3)CC2)c1
InChIInChI=1S/C19H23FN4O/c1-14-10-15(2)12-16(11-14)21-19(25)13-23-6-8-24(9-7-23)18-5-3-4-17(20)22-18/h3-5,10-12H,6-9,13H2,1-2H3,(H,21,25)
InChIKeyDIFTWIMTHGCUOB-UHFFFAOYSA-N
XLogP2.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
N-(3,5-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 6457503
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4566699
1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61230129
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22199281
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 16608497
N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573584
N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8720543
2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 138992592
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
CID 134017909

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide (CID 171691064) is N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide is Cc1cc(C)cc(NC(=O)CN2CCN(c3cccc(F)n3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide?
The InChIKey is DIFTWIMTHGCUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14-10-15(2)12-16(11-14)21-19(25)13-23-6-8-24(9-7-23)18-5-3-4-17(20)22-18/h3-5,10-12H,6-9,13H2,1-2H3,(H,21,25).
What are the key properties of N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 171691064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).