1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one

C14H21F3N4O — CID 75500779

IUPAC1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one
SMILESCC1CCN(C(=O)C(C)Nc2ccn(CC(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O/c1-10-3-6-20(7-4-10)13(22)11(2)18-12-5-8-21(19-12)9-14(15,16)17/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,18,19)
InChIKeyAUNISAJAZPHOSV-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.50
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one

1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one (PubChem CID 75500779) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one
PubChem CID75500779
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one
SMILESCC1CCN(C(=O)C(C)Nc2ccn(CC(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O/c1-10-3-6-20(7-4-10)13(22)11(2)18-12-5-8-21(19-12)9-14(15,16)17/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,18,19)
InChIKeyAUNISAJAZPHOSV-UHFFFAOYSA-N
XLogP2.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one (CID 75500779) is 1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one is CC1CCN(C(=O)C(C)Nc2ccn(CC(F)(F)F)n2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one?
The InChIKey is AUNISAJAZPHOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-10-3-6-20(7-4-10)13(22)11(2)18-12-5-8-21(19-12)9-14(15,16)17/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one?
1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one has a molecular weight of 318.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one is sourced from PubChem (CID 75500779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).