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

C18H26F3N5O — CID 146114139

IUPACN-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1
InChIInChI=1S/C18H26F3N5O/c1-11(16(27)23-13-2-3-13)25-7-4-12(5-8-25)15-14-10-22-6-9-26(14)17(24-15)18(19,20)21/h11-13,22H,2-10H2,1H3,(H,23,27)
InChIKeySDADMAWHGLGIJJ-UHFFFAOYSA-N
MW385.43 g/mol
LogP1.85
Rot. Bonds4

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

N-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide (PubChem CID 146114139) has the molecular formula C18H26F3N5O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide
PubChem CID146114139
Molecular FormulaC18H26F3N5O
Molecular Weight385.43 g/mol
Exact Mass385.21
IUPAC NameN-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1
InChIInChI=1S/C18H26F3N5O/c1-11(16(27)23-13-2-3-13)25-7-4-12(5-8-25)15-14-10-22-6-9-26(14)17(24-15)18(19,20)21/h11-13,22H,2-10H2,1H3,(H,23,27)
InChIKeySDADMAWHGLGIJJ-UHFFFAOYSA-N
XLogP1.85
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide (CID 146114139) is N-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide?
The InChIKey is SDADMAWHGLGIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N5O/c1-11(16(27)23-13-2-3-13)25-7-4-12(5-8-25)15-14-10-22-6-9-26(14)17(24-15)18(19,20)21/h11-13,22H,2-10H2,1H3,(H,23,27).
What are the key properties of N-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide?
N-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide has a molecular weight of 385.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 146114139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).