1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C16H21F3N4O3 — CID 134000129

IUPAC1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H21F3N4O3/c17-16(18,19)13-3-5-23(20-13)11-14(24)22-4-1-2-12(10-22)15(25)21-6-8-26-9-7-21/h3,5,12H,1-2,4,6-11H2
InChIKeyGNDVMAPZICYSCR-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.00
Rot. Bonds3

About 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 134000129) has the molecular formula C16H21F3N4O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID134000129
Molecular FormulaC16H21F3N4O3
Molecular Weight374.36 g/mol
Exact Mass374.16
IUPAC Name1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H21F3N4O3/c17-16(18,19)13-3-5-23(20-13)11-14(24)22-4-1-2-12(10-22)15(25)21-6-8-26-9-7-21/h3,5,12H,1-2,4,6-11H2
InChIKeyGNDVMAPZICYSCR-UHFFFAOYSA-N
XLogP1.00
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 134000129) is 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is O=C(Cn1ccc(C(F)(F)F)n1)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is GNDVMAPZICYSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O3/c17-16(18,19)13-3-5-23(20-13)11-14(24)22-4-1-2-12(10-22)15(25)21-6-8-26-9-7-21/h3,5,12H,1-2,4,6-11H2.
What are the key properties of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 374.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 134000129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).