N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide

C18H24N4OS — CID 110116947

IUPACN-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(CC2CCN(Cc3ccsc3)CC2)cn1
InChIInChI=1S/C18H24N4OS/c1-14(23)19-10-18-11-20-17(9-21-18)8-15-2-5-22(6-3-15)12-16-4-7-24-13-16/h4,7,9,11,13,15H,2-3,5-6,8,10,12H2,1H3,(H,19,23)
InChIKeyVCFNUPUDUGLSKJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.63
Rot. Bonds6

About N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide

N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide (PubChem CID 110116947) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
PubChem CID110116947
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(CC2CCN(Cc3ccsc3)CC2)cn1
InChIInChI=1S/C18H24N4OS/c1-14(23)19-10-18-11-20-17(9-21-18)8-15-2-5-22(6-3-15)12-16-4-7-24-13-16/h4,7,9,11,13,15H,2-3,5-6,8,10,12H2,1H3,(H,19,23)
InChIKeyVCFNUPUDUGLSKJ-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110095583
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 121057584
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 131946230
N-[[5-[[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110119076
N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110116932
1-tert-butyl-3-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]urea
CID 121057602
methyl 1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 62027274
N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide
CID 110095519
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131898411
2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 62592940
[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 129367813

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide (CID 110116947) is N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cnc(CC2CCN(Cc3ccsc3)CC2)cn1.
What is the InChIKey of N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is VCFNUPUDUGLSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14(23)19-10-18-11-20-17(9-21-18)8-15-2-5-22(6-3-15)12-16-4-7-24-13-16/h4,7,9,11,13,15H,2-3,5-6,8,10,12H2,1H3,(H,19,23).
What are the key properties of N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide?
N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 344.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 110116947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).