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

C26H27F3N4O2 — CID 141241384

IUPACmorpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C26H27F3N4O2/c27-26(28,29)22-8-6-18(7-9-22)20-14-21(17-33(16-20)25(34)32-10-12-35-13-11-32)24-15-23(30-31-24)19-4-2-1-3-5-19/h1-9,15,20-21H,10-14,16-17H2,(H,30,31)
InChIKeyVNSVYDDQSVLBRO-UHFFFAOYSA-N
MW484.52 g/mol
LogP5.12
Rot. Bonds3

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

morpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 141241384) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is morpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID141241384
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Namemorpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C26H27F3N4O2/c27-26(28,29)22-8-6-18(7-9-22)20-14-21(17-33(16-20)25(34)32-10-12-35-13-11-32)24-15-23(30-31-24)19-4-2-1-3-5-19/h1-9,15,20-21H,10-14,16-17H2,(H,30,31)
InChIKeyVNSVYDDQSVLBRO-UHFFFAOYSA-N
XLogP5.12
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 141241384) is morpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of morpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is VNSVYDDQSVLBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c27-26(28,29)22-8-6-18(7-9-22)20-14-21(17-33(16-20)25(34)32-10-12-35-13-11-32)24-15-23(30-31-24)19-4-2-1-3-5-19/h1-9,15,20-21H,10-14,16-17H2,(H,30,31).
What are the key properties of morpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
morpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 484.52 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 141241384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).