N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

C17H29F3N4O — CID 126795613

IUPACN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)N1CCN2CCCCC2C1
InChIInChI=1S/C17H29F3N4O/c18-17(19,20)13-22-7-4-14(5-8-22)11-21-16(25)24-10-9-23-6-2-1-3-15(23)12-24/h14-15H,1-13H2,(H,21,25)
InChIKeyQXPUIODGQFXHHD-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.14
Rot. Bonds3

About N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (PubChem CID 126795613) has the molecular formula C17H29F3N4O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
PubChem CID126795613
Molecular FormulaC17H29F3N4O
Molecular Weight362.44 g/mol
Exact Mass362.23
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)N1CCN2CCCCC2C1
InChIInChI=1S/C17H29F3N4O/c18-17(19,20)13-22-7-4-14(5-8-22)11-21-16(25)24-10-9-23-6-2-1-3-15(23)12-24/h14-15H,1-13H2,(H,21,25)
InChIKeyQXPUIODGQFXHHD-UHFFFAOYSA-N
XLogP2.14
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide
CID 99823226
1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 86817447
4-tert-butyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4-diazepane-1-carboxamide
CID 52502653
N-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 115585902
3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 175318874
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid
CID 79934824
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
CID 99827639
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
(2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide
CID 99823277
N'-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143243
3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide
CID 46852299
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 136521897

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (CID 126795613) is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is O=C(NCC1CCN(CC(F)(F)F)CC1)N1CCN2CCCCC2C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The InChIKey is QXPUIODGQFXHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F3N4O/c18-17(19,20)13-22-7-4-14(5-8-22)11-21-16(25)24-10-9-23-6-2-1-3-15(23)12-24/h14-15H,1-13H2,(H,21,25).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 126795613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).