N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

C22H29F3N4O — CID 110246246

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCc1c(C(C)NC(=O)CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cnn1C
InChIInChI=1S/C22H29F3N4O/c1-15(20-13-26-28(3)16(20)2)27-21(30)12-17-7-9-29(10-8-17)14-18-5-4-6-19(11-18)22(23,24)25/h4-6,11,13,15,17H,7-10,12,14H2,1-3H3,(H,27,30)
InChIKeyPTTWYFLIYGICTK-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.23
Rot. Bonds6

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 110246246) has the molecular formula C22H29F3N4O and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID110246246
Molecular FormulaC22H29F3N4O
Molecular Weight422.50 g/mol
Exact Mass422.23
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCc1c(C(C)NC(=O)CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cnn1C
InChIInChI=1S/C22H29F3N4O/c1-15(20-13-26-28(3)16(20)2)27-21(30)12-17-7-9-29(10-8-17)14-18-5-4-6-19(11-18)22(23,24)25/h4-6,11,13,15,17H,7-10,12,14H2,1-3H3,(H,27,30)
InChIKeyPTTWYFLIYGICTK-UHFFFAOYSA-N
XLogP4.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 92633777
N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 92633700
N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172892283
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
4-bromo-2-methyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]pyridazin-3-one
CID 133303669
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]cyclopropanecarboxamide
CID 42890550
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512867
4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 74244860
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (CID 110246246) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is Cc1c(C(C)NC(=O)CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is PTTWYFLIYGICTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N4O/c1-15(20-13-26-28(3)16(20)2)27-21(30)12-17-7-9-29(10-8-17)14-18-5-4-6-19(11-18)22(23,24)25/h4-6,11,13,15,17H,7-10,12,14H2,1-3H3,(H,27,30).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 422.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 110246246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).