(4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

C15H21F3N4O2 — CID 75448934

IUPAC(4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCN1CCOC(C(=O)N2CCCC(n3nccc3C(F)(F)F)C2)C1
InChIInChI=1S/C15H21F3N4O2/c1-20-7-8-24-12(10-20)14(23)21-6-2-3-11(9-21)22-13(4-5-19-22)15(16,17)18/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyDVNFWUMULCJRRP-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.40
Rot. Bonds2

About (4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

(4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 75448934) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID75448934
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name(4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCN1CCOC(C(=O)N2CCCC(n3nccc3C(F)(F)F)C2)C1
InChIInChI=1S/C15H21F3N4O2/c1-20-7-8-24-12(10-20)14(23)21-6-2-3-11(9-21)22-13(4-5-19-22)15(16,17)18/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyDVNFWUMULCJRRP-UHFFFAOYSA-N
XLogP1.40
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 75448934) is (4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is CN1CCOC(C(=O)N2CCCC(n3nccc3C(F)(F)F)C2)C1.
What is the InChIKey of (4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is DVNFWUMULCJRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-20-7-8-24-12(10-20)14(23)21-6-2-3-11(9-21)22-13(4-5-19-22)15(16,17)18/h4-5,11-12H,2-3,6-10H2,1H3.
What are the key properties of (4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
(4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 346.35 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 75448934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).