2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide

C25H29FN4O2 — CID 155921788

IUPAC2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
SMILESCn1nccc1-c1cc(NC(=O)Cc2ccc(F)cc2)ccc1OCCN1CCCCC1
InChIInChI=1S/C25H29FN4O2/c1-29-23(11-12-27-29)22-18-21(28-25(31)17-19-5-7-20(26)8-6-19)9-10-24(22)32-16-15-30-13-3-2-4-14-30/h5-12,18H,2-4,13-17H2,1H3,(H,28,31)
InChIKeyZQXFJPUHGYJDME-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.27
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide

2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide (PubChem CID 155921788) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
PubChem CID155921788
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
SMILESCn1nccc1-c1cc(NC(=O)Cc2ccc(F)cc2)ccc1OCCN1CCCCC1
InChIInChI=1S/C25H29FN4O2/c1-29-23(11-12-27-29)22-18-21(28-25(31)17-19-5-7-20(26)8-6-19)9-10-24(22)32-16-15-30-13-3-2-4-14-30/h5-12,18H,2-4,13-17H2,1H3,(H,28,31)
InChIKeyZQXFJPUHGYJDME-UHFFFAOYSA-N
XLogP4.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Temanogrel
CID 25177971
1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3-(2,4-difluorophenyl)urea
CID 11497283
[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 11612277
1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)-3-(2,4-difluorophenyl)urea
CID 44555382
1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)-3-(4-chlorophenyl)urea
CID 45486656
1-(4-methoxyphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486657
1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)urea
CID 45486658
1-(3-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486664
1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 45486665
1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3-(4-fluorophenyl)urea
CID 45486671
1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486672
1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)urea
CID 45486677

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide (CID 155921788) is 2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide is Cn1nccc1-c1cc(NC(=O)Cc2ccc(F)cc2)ccc1OCCN1CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide?
The InChIKey is ZQXFJPUHGYJDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-29-23(11-12-27-29)22-18-21(28-25(31)17-19-5-7-20(26)8-6-19)9-10-24(22)32-16-15-30-13-3-2-4-14-30/h5-12,18H,2-4,13-17H2,1H3,(H,28,31).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide?
2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide has a molecular weight of 436.53 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide is sourced from PubChem (CID 155921788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).