2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide

C17H19F3N4O — CID 119748787

IUPAC2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
SMILESO=C(CC1CCNCC1)Nc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)15-7-10-22-24(15)14-3-1-13(2-4-14)23-16(25)11-12-5-8-21-9-6-12/h1-4,7,10,12,21H,5-6,8-9,11H2,(H,23,25)
InChIKeyOUNPSPXTAIHGGY-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.22
Rot. Bonds4

About 2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide

2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide (PubChem CID 119748787) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
PubChem CID119748787
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
SMILESO=C(CC1CCNCC1)Nc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)15-7-10-22-24(15)14-3-1-13(2-4-14)23-16(25)11-12-5-8-21-9-6-12/h1-4,7,10,12,21H,5-6,8-9,11H2,(H,23,25)
InChIKeyOUNPSPXTAIHGGY-UHFFFAOYSA-N
XLogP3.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiomorpholin-3-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide;hydrochloride
CID 119937742
4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
CID 119303302
(2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide
CID 119748779
(2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120625531
N-(4-phenylphenyl)-2-piperidin-4-ylacetamide
CID 67362104
2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide
CID 103162243
2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride
CID 119748794
4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid
CID 122077598
2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
CID 119303298
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 60576094
N-(3-fluoro-4-methylphenyl)-2-piperidin-4-ylacetamide
CID 24690499

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide (CID 119748787) is 2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide is O=C(CC1CCNCC1)Nc1ccc(-n2nccc2C(F)(F)F)cc1.
What is the InChIKey of 2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The InChIKey is OUNPSPXTAIHGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c18-17(19,20)15-7-10-22-24(15)14-3-1-13(2-4-14)23-16(25)11-12-5-8-21-9-6-12/h1-4,7,10,12,21H,5-6,8-9,11H2,(H,23,25).
What are the key properties of 2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide has a molecular weight of 352.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 119748787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).