1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C16H22F3N3O3 — CID 136513172

IUPAC1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCC(OCC2CCCO2)CC1
InChIInChI=1S/C16H22F3N3O3/c17-16(18,19)14-5-8-22(20-14)10-15(23)21-6-3-12(4-7-21)25-11-13-2-1-9-24-13/h5,8,12-13H,1-4,6-7,9-11H2
InChIKeyBRRADQSTQSMPGD-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.09
Rot. Bonds5

About 1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 136513172) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID136513172
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC Name1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCC(OCC2CCCO2)CC1
InChIInChI=1S/C16H22F3N3O3/c17-16(18,19)14-5-8-22(20-14)10-15(23)21-6-3-12(4-7-21)25-11-13-2-1-9-24-13/h5,8,12-13H,1-4,6-7,9-11H2
InChIKeyBRRADQSTQSMPGD-UHFFFAOYSA-N
XLogP2.09
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 136513172) is 1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(OCC2CCCO2)CC1.
What is the InChIKey of 1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is BRRADQSTQSMPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c17-16(18,19)14-5-8-22(20-14)10-15(23)21-6-3-12(4-7-21)25-11-13-2-1-9-24-13/h5,8,12-13H,1-4,6-7,9-11H2.
What are the key properties of 1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 361.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 136513172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).