2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide

C15H22FN3O — CID 65462375

IUPAC2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCNCC2(C)C)cc1F
InChIInChI=1S/C15H22FN3O/c1-11-4-5-12(8-13(11)16)18-14(20)9-19-7-6-17-10-15(19,2)3/h4-5,8,17H,6-7,9-10H2,1-3H3,(H,18,20)
InChIKeyWIWVPASWORPQHF-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.76
Rot. Bonds3

About 2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide

2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 65462375) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID65462375
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCNCC2(C)C)cc1F
InChIInChI=1S/C15H22FN3O/c1-11-4-5-12(8-13(11)16)18-14(20)9-19-7-6-17-10-15(19,2)3/h4-5,8,17H,6-7,9-10H2,1-3H3,(H,18,20)
InChIKeyWIWVPASWORPQHF-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
CID 65460986
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 65460794
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2583508
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 120772306
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9435782
N-(3-fluoro-4-methylphenyl)-2-piperidin-4-ylacetamide
CID 24690499
2-(2,5-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 64980832
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (CID 65462375) is 2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCNCC2(C)C)cc1F.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is WIWVPASWORPQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-4-5-12(8-13(11)16)18-14(20)9-19-7-6-17-10-15(19,2)3/h4-5,8,17H,6-7,9-10H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 65462375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).