N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide

C26H29FN4O3S — CID 42366929

IUPACN-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cnn(CC(=O)N2CCC(Sc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H29FN4O3S/c1-34-24-5-3-2-4-19(24)6-11-25(32)29-21-16-28-31(17-21)18-26(33)30-14-12-23(13-15-30)35-22-9-7-20(27)8-10-22/h2-5,7-10,16-17,23H,6,11-15,18H2,1H3,(H,29,32)
InChIKeyZEYNWJHILINBRK-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.39
Rot. Bonds9

About N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide

N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide (PubChem CID 42366929) has the molecular formula C26H29FN4O3S and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide
PubChem CID42366929
Molecular FormulaC26H29FN4O3S
Molecular Weight496.61 g/mol
Exact Mass496.19
IUPAC NameN-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cnn(CC(=O)N2CCC(Sc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H29FN4O3S/c1-34-24-5-3-2-4-19(24)6-11-25(32)29-21-16-28-31(17-21)18-26(33)30-14-12-23(13-15-30)35-22-9-7-20(27)8-10-22/h2-5,7-10,16-17,23H,6,11-15,18H2,1H3,(H,29,32)
InChIKeyZEYNWJHILINBRK-UHFFFAOYSA-N
XLogP4.39
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenyl-2-pyrazol-1-ylacetamide
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CID 72024392
N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide
CID 86884566
2-(2-fluorophenyl)-N-[1-[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
CID 92634703
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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide (CID 42366929) is N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)Nc1cnn(CC(=O)N2CCC(Sc3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is ZEYNWJHILINBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3S/c1-34-24-5-3-2-4-19(24)6-11-25(32)29-21-16-28-31(17-21)18-26(33)30-14-12-23(13-15-30)35-22-9-7-20(27)8-10-22/h2-5,7-10,16-17,23H,6,11-15,18H2,1H3,(H,29,32).
What are the key properties of N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide?
N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 496.61 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 42366929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).