(3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone

C13H18F3N5O — CID 141192715

IUPAC(3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
SMILESNC1CCCN(C(=O)c2nc(C(F)(F)F)n3c2CNCC3)C1
InChIInChI=1S/C13H18F3N5O/c14-13(15,16)12-19-10(9-6-18-3-5-21(9)12)11(22)20-4-1-2-8(17)7-20/h8,18H,1-7,17H2
InChIKeyPUDMUWLCKJXMOE-UHFFFAOYSA-N
MW317.32 g/mol
LogP0.57
Rot. Bonds1

About (3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone

(3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone (PubChem CID 141192715) has the molecular formula C13H18F3N5O and a molecular weight of 317.32 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
PubChem CID141192715
Molecular FormulaC13H18F3N5O
Molecular Weight317.32 g/mol
Exact Mass317.15
IUPAC Name(3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
SMILESNC1CCCN(C(=O)c2nc(C(F)(F)F)n3c2CNCC3)C1
InChIInChI=1S/C13H18F3N5O/c14-13(15,16)12-19-10(9-6-18-3-5-21(9)12)11(22)20-4-1-2-8(17)7-20/h8,18H,1-7,17H2
InChIKeyPUDMUWLCKJXMOE-UHFFFAOYSA-N
XLogP0.57
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone (CID 141192715) is (3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone is NC1CCCN(C(=O)c2nc(C(F)(F)F)n3c2CNCC3)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
The InChIKey is PUDMUWLCKJXMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O/c14-13(15,16)12-19-10(9-6-18-3-5-21(9)12)11(22)20-4-1-2-8(17)7-20/h8,18H,1-7,17H2.
What are the key properties of (3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
(3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone has a molecular weight of 317.32 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone is sourced from PubChem (CID 141192715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).