2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide

C21H25F3N4O3 — CID 45188474

IUPAC2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(C(=O)CCC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C21H25F3N4O3/c1-31-19(15-5-3-2-4-6-15)20(30)26-17-8-12-25-28(17)16-9-13-27(14-10-16)18(29)7-11-21(22,23)24/h2-6,8,12,16,19H,7,9-11,13-14H2,1H3,(H,26,30)
InChIKeyQZZUJSWAJUSWOW-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.72
Rot. Bonds7

About 2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide

2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide (PubChem CID 45188474) has the molecular formula C21H25F3N4O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide
PubChem CID45188474
Molecular FormulaC21H25F3N4O3
Molecular Weight438.45 g/mol
Exact Mass438.19
IUPAC Name2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(C(=O)CCC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C21H25F3N4O3/c1-31-19(15-5-3-2-4-6-15)20(30)26-17-8-12-25-28(17)16-9-13-27(14-10-16)18(29)7-11-21(22,23)24/h2-6,8,12,16,19H,7,9-11,13-14H2,1H3,(H,26,30)
InChIKeyQZZUJSWAJUSWOW-UHFFFAOYSA-N
XLogP3.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide
CID 42556858
methyl 4-[4-[5-[[(2R)-2-methoxy-2-phenylacetyl]amino]pyrazol-1-yl]piperidin-1-yl]-4-oxobutanoate
CID 42213799
(2S)-2-methoxy-N-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 95197811
(2R)-N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
CID 25452567
(2S)-2-methoxy-N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 42565989
(2R)-N-[2-(1-cyclopentylpiperidin-4-yl)pyrazol-3-yl]-2-methoxy-2-phenylacetamide
CID 25367005
(2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
CID 95229818
2-methoxy-2-phenyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
CID 91828352
(2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 42310960
2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide
CID 45195177
2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
CID 45210189
(2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 26401475

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide (CID 45188474) is 2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide is COC(C(=O)Nc1ccnn1C1CCN(C(=O)CCC(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The InChIKey is QZZUJSWAJUSWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O3/c1-31-19(15-5-3-2-4-6-15)20(30)26-17-8-12-25-28(17)16-9-13-27(14-10-16)18(29)7-11-21(22,23)24/h2-6,8,12,16,19H,7,9-11,13-14H2,1H3,(H,26,30).
What are the key properties of 2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide has a molecular weight of 438.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 45188474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).