N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H17F3N4O — CID 129465854

IUPACN-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC[C@H]1CCCNC1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)10-3-5-19(18-10)8-11(20)17-7-9-2-1-4-16-6-9/h3,5,9,16H,1-2,4,6-8H2,(H,17,20)/t9-/m0/s1
InChIKeyJRUXWPPWFZHKPS-VIFPVBQESA-N
MW290.29 g/mol
LogP1.02
Rot. Bonds4

About N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 129465854) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID129465854
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC[C@H]1CCCNC1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)10-3-5-19(18-10)8-11(20)17-7-9-2-1-4-16-6-9/h3,5,9,16H,1-2,4,6-8H2,(H,17,20)/t9-/m0/s1
InChIKeyJRUXWPPWFZHKPS-VIFPVBQESA-N
XLogP1.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530729
N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
CID 119260132
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 62371096
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 49056863
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813881
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460598
N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530800
2-[3-(trifluoromethyl)pyrazol-1-yl]-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810872
2-(3-nitropyrazol-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119555257
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 90588552

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 129465854) is N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NC[C@H]1CCCNC1.
What is the InChIKey of N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is JRUXWPPWFZHKPS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)10-3-5-19(18-10)8-11(20)17-7-9-2-1-4-16-6-9/h3,5,9,16H,1-2,4,6-8H2,(H,17,20)/t9-/m0/s1.
What are the key properties of N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 129465854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).