1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone

C19H28F3N5O — CID 146114141

IUPAC1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1)N1CCCCC1
InChIInChI=1S/C19H28F3N5O/c20-19(21,22)18-24-17(15-12-23-6-11-27(15)18)14-4-9-25(10-5-14)13-16(28)26-7-2-1-3-8-26/h14,23H,1-13H2
InChIKeyQJQWIHBZJFGWFC-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.20
Rot. Bonds3

About 1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone

1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone (PubChem CID 146114141) has the molecular formula C19H28F3N5O and a molecular weight of 399.46 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone
PubChem CID146114141
Molecular FormulaC19H28F3N5O
Molecular Weight399.46 g/mol
Exact Mass399.22
IUPAC Name1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1)N1CCCCC1
InChIInChI=1S/C19H28F3N5O/c20-19(21,22)18-24-17(15-12-23-6-11-27(15)18)14-4-9-25(10-5-14)13-16(28)26-7-2-1-3-8-26/h14,23H,1-13H2
InChIKeyQJQWIHBZJFGWFC-UHFFFAOYSA-N
XLogP2.20
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone (CID 146114141) is 1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone is O=C(CN1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is QJQWIHBZJFGWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N5O/c20-19(21,22)18-24-17(15-12-23-6-11-27(15)18)14-4-9-25(10-5-14)13-16(28)26-7-2-1-3-8-26/h14,23H,1-13H2.
What are the key properties of 1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone?
1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 399.46 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 146114141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).