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

C25H33F3N4O3 — CID 141241333

IUPAC(2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCOCCc1cc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOC(C)(C)C3)C2)n[nH]1
InChIInChI=1S/C25H33F3N4O3/c1-24(2)16-31(9-11-35-24)23(33)32-14-18(17-4-6-20(7-5-17)25(26,27)28)12-19(15-32)22-13-21(29-30-22)8-10-34-3/h4-7,13,18-19H,8-12,14-16H2,1-3H3,(H,29,30)
InChIKeyCSTPDUIYHZJBJS-UHFFFAOYSA-N
MW494.56 g/mol
LogP4.42
Rot. Bonds5

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

(2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 141241333) has the molecular formula C25H33F3N4O3 and a molecular weight of 494.56 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID141241333
Molecular FormulaC25H33F3N4O3
Molecular Weight494.56 g/mol
Exact Mass494.25
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCOCCc1cc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOC(C)(C)C3)C2)n[nH]1
InChIInChI=1S/C25H33F3N4O3/c1-24(2)16-31(9-11-35-24)23(33)32-14-18(17-4-6-20(7-5-17)25(26,27)28)12-19(15-32)22-13-21(29-30-22)8-10-34-3/h4-7,13,18-19H,8-12,14-16H2,1-3H3,(H,29,30)
InChIKeyCSTPDUIYHZJBJS-UHFFFAOYSA-N
XLogP4.42
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N~1~-(2-methoxyethyl)tetrahydro-1(2H)-pyridinecarboxamide
CID 53185327
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 53185305
tert-butyl (2S)-2-[3-[(3S,5S)-1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylate
CID 141241322
(4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241323
[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone
CID 141241332
[3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241339
[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241340
[3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
CID 141241347
tert-butyl N-[1-[5-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1H-pyrazol-3-yl]cyclopropyl]carbamate
CID 141241355
[3-[3-(azetidin-3-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
CID 141241356
[3-[5-(methoxymethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241359
(4-hydroxypiperidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241365

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 141241333) is (2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-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-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is COCCc1cc(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-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is CSTPDUIYHZJBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N4O3/c1-24(2)16-31(9-11-35-24)23(33)32-14-18(17-4-6-20(7-5-17)25(26,27)28)12-19(15-32)22-13-21(29-30-22)8-10-34-3/h4-7,13,18-19H,8-12,14-16H2,1-3H3,(H,29,30).
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 494.56 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 141241333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).