N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid

C18H26F3N5O4 — CID 118743520

IUPACN-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NCC(=O)N1CCn2cc(CN3CCCCC3)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N5O2.C2HF3O2/c1-13(22)17-9-16(23)21-8-7-20-11-14(18-15(20)12-21)10-19-5-3-2-4-6-19;3-2(4,5)1(6)7/h11H,2-10,12H2,1H3,(H,17,22);(H,6,7)
InChIKeyKOJRFYGPUQZGON-UHFFFAOYSA-N
MW433.43 g/mol
LogP0.98
Rot. Bonds4

About N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid

N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118743520) has the molecular formula C18H26F3N5O4 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID118743520
Molecular FormulaC18H26F3N5O4
Molecular Weight433.43 g/mol
Exact Mass433.19
IUPAC NameN-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NCC(=O)N1CCn2cc(CN3CCCCC3)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N5O2.C2HF3O2/c1-13(22)17-9-16(23)21-8-7-20-11-14(18-15(20)12-21)10-19-5-3-2-4-6-19;3-2(4,5)1(6)7/h11H,2-10,12H2,1H3,(H,17,22);(H,6,7)
InChIKeyKOJRFYGPUQZGON-UHFFFAOYSA-N
XLogP0.98
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid (CID 118743520) is N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid is CC(=O)NCC(=O)N1CCn2cc(CN3CCCCC3)nc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is KOJRFYGPUQZGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2.C2HF3O2/c1-13(22)17-9-16(23)21-8-7-20-11-14(18-15(20)12-21)10-19-5-3-2-4-6-19;3-2(4,5)1(6)7/h11H,2-10,12H2,1H3,(H,17,22);(H,6,7).
What are the key properties of N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid?
N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 433.43 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).