N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide

C18H27N7O2 — CID 25277231

IUPACN-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(c2nc3nonc3nc2N2CCCCCC2)C1
InChIInChI=1S/C18H27N7O2/c1-13(26)19-11-14-7-6-10-25(12-14)18-17(24-8-4-2-3-5-9-24)20-15-16(21-18)23-27-22-15/h14H,2-12H2,1H3,(H,19,26)/t14-/m0/s1
InChIKeyHGLBWTIHTZRVRX-AWEZNQCLSA-N
MW373.46 g/mol
LogP1.75
Rot. Bonds4

About N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide

N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide (PubChem CID 25277231) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide
PubChem CID25277231
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC NameN-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(c2nc3nonc3nc2N2CCCCCC2)C1
InChIInChI=1S/C18H27N7O2/c1-13(26)19-11-14-7-6-10-25(12-14)18-17(24-8-4-2-3-5-9-24)20-15-16(21-18)23-27-22-15/h14H,2-12H2,1H3,(H,19,26)/t14-/m0/s1
InChIKeyHGLBWTIHTZRVRX-AWEZNQCLSA-N
XLogP1.75
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(3R)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide
CID 25277232
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180
ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 51904879
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360369
ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 45236696
propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate
CID 133468919
N-[[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]acetamide
CID 133274961
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 45251405
N-[[1-(4-phenylquinazolin-2-yl)piperidin-3-yl]methyl]acetamide
CID 133274920
N-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 75462370
N-[[1-(4-nitrophenyl)piperidin-3-yl]methyl]acetamide
CID 133274968
N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 123632688

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide (CID 25277231) is N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCCN(c2nc3nonc3nc2N2CCCCCC2)C1.
What is the InChIKey of N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide?
The InChIKey is HGLBWTIHTZRVRX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-13(26)19-11-14-7-6-10-25(12-14)18-17(24-8-4-2-3-5-9-24)20-15-16(21-18)23-27-22-15/h14H,2-12H2,1H3,(H,19,26)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide?
N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 25277231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).