2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C18H28N4OS — CID 50979334

IUPAC2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(Cc3cc(CN4CCCCC4)cs3)CC12
InChIInChI=1S/C18H28N4OS/c23-18-17-13-21(8-9-22(17)7-4-19-18)12-16-10-15(14-24-16)11-20-5-2-1-3-6-20/h10,14,17H,1-9,11-13H2,(H,19,23)
InChIKeyCHLACUONARUMLN-UHFFFAOYSA-N
MW348.52 g/mol
LogP1.35
Rot. Bonds4

About 2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 50979334) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID50979334
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(Cc3cc(CN4CCCCC4)cs3)CC12
InChIInChI=1S/C18H28N4OS/c23-18-17-13-21(8-9-22(17)7-4-19-18)12-16-10-15(14-24-16)11-20-5-2-1-3-6-20/h10,14,17H,1-9,11-13H2,(H,19,23)
InChIKeyCHLACUONARUMLN-UHFFFAOYSA-N
XLogP1.35
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,4-dichlorophenyl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50959397
(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine
CID 124752129
(9aS)-2-[(1-ethenylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95149044
ethyl 4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45228014
formic acid;1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-4-(1H-1,2,4-triazol-5-ylmethyl)piperazine
CID 154912941
1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 131896536
2-[1-cyclopentyl-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperazin-2-yl]ethanol
CID 45220710
1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
CID 56901814
2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine
CID 135091119
N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 70708646
(2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide
CID 56722804
1-[(3R,4S)-4-hydroxy-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134709129

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 50979334) is 2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is O=C1NCCN2CCN(Cc3cc(CN4CCCCC4)cs3)CC12.
What is the InChIKey of 2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is CHLACUONARUMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c23-18-17-13-21(8-9-22(17)7-4-19-18)12-16-10-15(14-24-16)11-20-5-2-1-3-6-20/h10,14,17H,1-9,11-13H2,(H,19,23).
What are the key properties of 2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 348.52 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 50979334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).