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

C20H24ClF3N4O — CID 71781216

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1cc(C)n(CC2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)n1
InChIInChI=1S/C20H24ClF3N4O/c1-13-9-14(2)28(26-13)11-15-5-7-27(8-6-15)12-19(29)25-18-10-16(20(22,23)24)3-4-17(18)21/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,25,29)
InChIKeyGOWOSWVIZPBVFN-UHFFFAOYSA-N
MW428.89 g/mol
LogP4.52
Rot. Bonds5

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 71781216) has the molecular formula C20H24ClF3N4O and a molecular weight of 428.89 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
PubChem CID71781216
Molecular FormulaC20H24ClF3N4O
Molecular Weight428.89 g/mol
Exact Mass428.16
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1cc(C)n(CC2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)n1
InChIInChI=1S/C20H24ClF3N4O/c1-13-9-14(2)28(26-13)11-15-5-7-27(8-6-15)12-19(29)25-18-10-16(20(22,23)24)3-4-17(18)21/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,25,29)
InChIKeyGOWOSWVIZPBVFN-UHFFFAOYSA-N
XLogP4.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide (CID 71781216) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide is Cc1cc(C)n(CC2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)n1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is GOWOSWVIZPBVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClF3N4O/c1-13-9-14(2)28(26-13)11-15-5-7-27(8-6-15)12-19(29)25-18-10-16(20(22,23)24)3-4-17(18)21/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,25,29).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 428.89 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 71781216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).