N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide

C21H23FN4OS — CID 16673869

IUPACN-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2F)CCN(Cc2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C21H23FN4OS/c1-15(27)24-21(17-5-2-3-6-18(17)22)8-10-26(11-9-21)14-16-13-23-25-20(16)19-7-4-12-28-19/h2-7,12-13H,8-11,14H2,1H3,(H,23,25)(H,24,27)
InChIKeyZMYGABDORCLNQI-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.90
Rot. Bonds5

About N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide

N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 16673869) has the molecular formula C21H23FN4OS and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide
PubChem CID16673869
Molecular FormulaC21H23FN4OS
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC NameN-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2F)CCN(Cc2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C21H23FN4OS/c1-15(27)24-21(17-5-2-3-6-18(17)22)8-10-26(11-9-21)14-16-13-23-25-20(16)19-7-4-12-28-19/h2-7,12-13H,8-11,14H2,1H3,(H,23,25)(H,24,27)
InChIKeyZMYGABDORCLNQI-UHFFFAOYSA-N
XLogP3.90
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
CID 16190435
4-ethyl-N'-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene}-5-methyl-3-thiophenecarbohydrazide
CID 135521407
N-[(1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-piperidinyl)methyl]acetamide
CID 16189185
[4-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24792095
1-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-4-(2-thienylcarbonyl)piperazine
CID 24793141
3-(3-fluorophenyl)-5-(2-thienylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 42530235
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine
CID 46996306
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 95265878
(E)-1-[(4S)-2-chloro-4-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4-(dimethylamino)but-2-en-1-one
CID 156810500
2-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 45230966
1-[4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 53165417
4-Phenyl-5-{[3-(thiophen-2-YL)-1H-pyrazol-4-YL]methyl}-1,5-diazecan-2-one
CID 110200155

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide (CID 16673869) is N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide is CC(=O)NC1(c2ccccc2F)CCN(Cc2cn[nH]c2-c2cccs2)CC1.
What is the InChIKey of N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is ZMYGABDORCLNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OS/c1-15(27)24-21(17-5-2-3-6-18(17)22)8-10-26(11-9-21)14-16-13-23-25-20(16)19-7-4-12-28-19/h2-7,12-13H,8-11,14H2,1H3,(H,23,25)(H,24,27).
What are the key properties of N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide?
N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 16673869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).