2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C22H27F3N4O2 — CID 124950270

IUPAC2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCCn1ccc(C(=O)N2CCC[C@H](CC(=O)NCCc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C22H27F3N4O2/c1-2-29-13-10-19(27-29)21(31)28-12-3-4-17(15-28)14-20(30)26-11-9-16-5-7-18(8-6-16)22(23,24)25/h5-8,10,13,17H,2-4,9,11-12,14-15H2,1H3,(H,26,30)/t17-/m1/s1
InChIKeyDAPOTPNXIUOBNB-QGZVFWFLSA-N
MW436.48 g/mol
LogP3.52
Rot. Bonds7

About 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 124950270) has the molecular formula C22H27F3N4O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID124950270
Molecular FormulaC22H27F3N4O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC Name2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCCn1ccc(C(=O)N2CCC[C@H](CC(=O)NCCc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C22H27F3N4O2/c1-2-29-13-10-19(27-29)21(31)28-12-3-4-17(15-28)14-20(30)26-11-9-16-5-7-18(8-6-16)22(23,24)25/h5-8,10,13,17H,2-4,9,11-12,14-15H2,1H3,(H,26,30)/t17-/m1/s1
InChIKeyDAPOTPNXIUOBNB-QGZVFWFLSA-N
XLogP3.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 110085839
2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 124993023
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124990011
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
(1-ethylpyrazol-3-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166619910
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92590234
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 110085786
N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 92634667
(1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 164632354

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 124950270) is 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is CCn1ccc(C(=O)N2CCC[C@H](CC(=O)NCCc3ccc(C(F)(F)F)cc3)C2)n1.
What is the InChIKey of 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is DAPOTPNXIUOBNB-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27F3N4O2/c1-2-29-13-10-19(27-29)21(31)28-12-3-4-17(15-28)14-20(30)26-11-9-16-5-7-18(8-6-16)22(23,24)25/h5-8,10,13,17H,2-4,9,11-12,14-15H2,1H3,(H,26,30)/t17-/m1/s1.
What are the key properties of 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 436.48 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 124950270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).