2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide

C21H26FN3O2 — CID 43041193

IUPAC2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1CN1CCN(C(C(N)=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O2/c1-15-3-8-19(27-2)17(13-15)14-24-9-11-25(12-10-24)20(21(23)26)16-4-6-18(22)7-5-16/h3-8,13,20H,9-12,14H2,1-2H3,(H2,23,26)
InChIKeyXPTKUURQNPALGF-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.49
Rot. Bonds6

About 2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide

2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 43041193) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID43041193
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1CN1CCN(C(C(N)=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O2/c1-15-3-8-19(27-2)17(13-15)14-24-9-11-25(12-10-24)20(21(23)26)16-4-6-18(22)7-5-16/h3-8,13,20H,9-12,14H2,1-2H3,(H2,23,26)
InChIKeyXPTKUURQNPALGF-UHFFFAOYSA-N
XLogP2.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 112771065
1-(4-fluorophenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9036604
(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 8997651
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 98023481
N-(4-fluorophenyl)-2-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 8997571
(2S)-N-ethyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 8997732
4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469
(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 97261025
(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8997506
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 119833164
(2S)-2-(2,4-dimethylphenyl)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetic acid
CID 97209526
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 60673434

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 43041193) is 2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(C)cc1CN1CCN(C(C(N)=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is XPTKUURQNPALGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-15-3-8-19(27-2)17(13-15)14-24-9-11-25(12-10-24)20(21(23)26)16-4-6-18(22)7-5-16/h3-8,13,20H,9-12,14H2,1-2H3,(H2,23,26).
What are the key properties of 2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide?
2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43041193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).