2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide

C25H27FN4O2 — CID 42857339

IUPAC2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide
SMILESCOc1ccccc1CN1CCN(c2ccc(NC(=O)Cc3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C25H27FN4O2/c1-32-23-5-3-2-4-20(23)18-29-12-14-30(15-13-29)24-11-10-22(17-27-24)28-25(31)16-19-6-8-21(26)9-7-19/h2-11,17H,12-16,18H2,1H3,(H,28,31)
InChIKeyADTZQSMZYUPSRM-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.73
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide

2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide (PubChem CID 42857339) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide
PubChem CID42857339
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide
SMILESCOc1ccccc1CN1CCN(c2ccc(NC(=O)Cc3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C25H27FN4O2/c1-32-23-5-3-2-4-20(23)18-29-12-14-30(15-13-29)24-11-10-22(17-27-24)28-25(31)16-19-6-8-21(26)9-7-19/h2-11,17H,12-16,18H2,1H3,(H,28,31)
InChIKeyADTZQSMZYUPSRM-UHFFFAOYSA-N
XLogP3.73
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 42857454
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 11530247
1-(2,4-difluorophenyl)-3-[6-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 42857775
2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113011137
2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113014545
1-(2-ethoxyphenyl)-3-[6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]urea
CID 42857738
N-[6-[4-[(2,3-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-fluorobenzamide
CID 42857566
2-phenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 155597278
2-(4-fluorophenyl)-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027342
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113011060
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113015910
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113011252

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide (CID 42857339) is 2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide is COc1ccccc1CN1CCN(c2ccc(NC(=O)Cc3ccc(F)cc3)cn2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide?
The InChIKey is ADTZQSMZYUPSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-32-23-5-3-2-4-20(23)18-29-12-14-30(15-13-29)24-11-10-22(17-27-24)28-25(31)16-19-6-8-21(26)9-7-19/h2-11,17H,12-16,18H2,1H3,(H,28,31).
What are the key properties of 2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide?
2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 42857339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).