(2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C23H29F3N4O2 — CID 141241494

IUPAC(2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1cc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOC(C)(C)C3)C2)n[nH]1
InChIInChI=1S/C23H29F3N4O2/c1-15-10-20(28-27-15)18-11-17(16-4-6-19(7-5-16)23(24,25)26)12-30(13-18)21(31)29-8-9-32-22(2,3)14-29/h4-7,10,17-18H,8-9,11-14H2,1-3H3,(H,27,28)
InChIKeyXXDLMWZTTUAKKT-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.54
Rot. Bonds2

About (2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 141241494) has the molecular formula C23H29F3N4O2 and a molecular weight of 450.51 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID141241494
Molecular FormulaC23H29F3N4O2
Molecular Weight450.51 g/mol
Exact Mass450.22
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1cc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOC(C)(C)C3)C2)n[nH]1
InChIInChI=1S/C23H29F3N4O2/c1-15-10-20(28-27-15)18-11-17(16-4-6-19(7-5-16)23(24,25)26)12-30(13-18)21(31)29-8-9-32-22(2,3)14-29/h4-7,10,17-18H,8-9,11-14H2,1-3H3,(H,27,28)
InChIKeyXXDLMWZTTUAKKT-UHFFFAOYSA-N
XLogP4.54
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 141241494) is (2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is Cc1cc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOC(C)(C)C3)C2)n[nH]1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is XXDLMWZTTUAKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O2/c1-15-10-20(28-27-15)18-11-17(16-4-6-19(7-5-16)23(24,25)26)12-30(13-18)21(31)29-8-9-32-22(2,3)14-29/h4-7,10,17-18H,8-9,11-14H2,1-3H3,(H,27,28).
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 450.51 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 141241494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).