[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone

C23H27F3N4O3 — CID 141241352

IUPAC[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2cc(C3CC3)[nH]n2)C1
InChIInChI=1S/C23H27F3N4O3/c24-23(25,26)33-19-5-3-15(4-6-19)17-11-18(21-12-20(27-28-21)16-1-2-16)14-30(13-17)22(31)29-7-9-32-10-8-29/h3-6,12,16-18H,1-2,7-11,13-14H2,(H,27,28)
InChIKeyTVHMXFDCIDDADY-UHFFFAOYSA-N
MW464.49 g/mol
LogP4.21
Rot. Bonds4

About [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone

[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 141241352) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID141241352
Molecular FormulaC23H27F3N4O3
Molecular Weight464.49 g/mol
Exact Mass464.20
IUPAC Name[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2cc(C3CC3)[nH]n2)C1
InChIInChI=1S/C23H27F3N4O3/c24-23(25,26)33-19-5-3-15(4-6-19)17-11-18(21-12-20(27-28-21)16-1-2-16)14-30(13-17)22(31)29-7-9-32-10-8-29/h3-6,12,16-18H,1-2,7-11,13-14H2,(H,27,28)
InChIKeyTVHMXFDCIDDADY-UHFFFAOYSA-N
XLogP4.21
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 141241352) is [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2cc(C3CC3)[nH]n2)C1.
What is the InChIKey of [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is TVHMXFDCIDDADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O3/c24-23(25,26)33-19-5-3-15(4-6-19)17-11-18(21-12-20(27-28-21)16-1-2-16)14-30(13-17)22(31)29-7-9-32-10-8-29/h3-6,12,16-18H,1-2,7-11,13-14H2,(H,27,28).
What are the key properties of [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 464.49 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 141241352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).