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

C17H20FN5O2 — CID 17448855

IUPACN-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCOc1ccnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H20FN5O2/c1-25-16-6-7-19-17(21-16)23-10-8-22(9-11-23)12-15(24)20-14-4-2-13(18)3-5-14/h2-7H,8-12H2,1H3,(H,20,24)
InChIKeyLYZZVXQURXMDLT-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.38
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide (PubChem CID 17448855) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
PubChem CID17448855
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCOc1ccnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H20FN5O2/c1-25-16-6-7-19-17(21-16)23-10-8-22(9-11-23)12-15(24)20-14-4-2-13(18)3-5-14/h2-7H,8-12H2,1H3,(H,20,24)
InChIKeyLYZZVXQURXMDLT-UHFFFAOYSA-N
XLogP1.38
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
N-(4-fluorophenyl)-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166605769
1-(4-fluorophenyl)-3-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]urea
CID 94818794
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 94447840
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542787
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 60585524
2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 133475566
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide (CID 17448855) is N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide is COc1ccnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is LYZZVXQURXMDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-25-16-6-7-19-17(21-16)23-10-8-22(9-11-23)12-15(24)20-14-4-2-13(18)3-5-14/h2-7H,8-12H2,1H3,(H,20,24).
What are the key properties of N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 345.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17448855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).