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

C25H33F3N4O3 — CID 141241332

IUPAC[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOCCc1cc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCCC(OC)C3)C2)n[nH]1
InChIInChI=1S/C25H33F3N4O3/c1-34-11-9-21-13-23(30-29-21)19-12-18(17-5-7-20(8-6-17)25(26,27)28)14-32(15-19)24(33)31-10-3-4-22(16-31)35-2/h5-8,13,18-19,22H,3-4,9-12,14-16H2,1-2H3,(H,29,30)
InChIKeyTWKBALRRUOKFIZ-UHFFFAOYSA-N
MW494.56 g/mol
LogP4.42
Rot. Bonds6

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

[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone (PubChem CID 141241332) has the molecular formula C25H33F3N4O3 and a molecular weight of 494.56 g/mol. Its IUPAC name is [3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone
PubChem CID141241332
Molecular FormulaC25H33F3N4O3
Molecular Weight494.56 g/mol
Exact Mass494.25
IUPAC Name[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOCCc1cc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCCC(OC)C3)C2)n[nH]1
InChIInChI=1S/C25H33F3N4O3/c1-34-11-9-21-13-23(30-29-21)19-12-18(17-5-7-20(8-6-17)25(26,27)28)14-32(15-19)24(33)31-10-3-4-22(16-31)35-2/h5-8,13,18-19,22H,3-4,9-12,14-16H2,1-2H3,(H,29,30)
InChIKeyTWKBALRRUOKFIZ-UHFFFAOYSA-N
XLogP4.42
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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
(2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241333
[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 [3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of [3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone (CID 141241332) is [3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone is COCCc1cc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCCC(OC)C3)C2)n[nH]1.
What is the InChIKey of [3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is TWKBALRRUOKFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N4O3/c1-34-11-9-21-13-23(30-29-21)19-12-18(17-5-7-20(8-6-17)25(26,27)28)14-32(15-19)24(33)31-10-3-4-22(16-31)35-2/h5-8,13,18-19,22H,3-4,9-12,14-16H2,1-2H3,(H,29,30).
What are the key properties of [3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone?
[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 494.56 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 141241332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).