2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide

C20H24FN3O2 — CID 15993712

IUPAC2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FN3O2/c1-26-18-8-6-17(7-9-18)22-20(25)15-24-12-10-23(11-13-24)14-16-4-2-3-5-19(16)21/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyFGFLQGBJGGUEJH-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.59
Rot. Bonds6

About 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 15993712) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID15993712
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FN3O2/c1-26-18-8-6-17(7-9-18)22-20(25)15-24-12-10-23(11-13-24)14-16-4-2-3-5-19(16)21/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyFGFLQGBJGGUEJH-UHFFFAOYSA-N
XLogP2.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 8749430
1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 30735955
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113074066
2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 53164302
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 20970572
N-(4-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3155501
N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide
CID 650852
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 15993712) is 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCN(Cc3ccccc3F)CC2)cc1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is FGFLQGBJGGUEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-26-18-8-6-17(7-9-18)22-20(25)15-24-12-10-23(11-13-24)14-16-4-2-3-5-19(16)21/h2-9H,10-15H2,1H3,(H,22,25).
What are the key properties of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 357.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 15993712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).