3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one

C16H28N4O2 — CID 129342939

IUPAC3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCCCC[C@H](COC)N[C@H]1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C16H28N4O2/c1-3-4-6-14(12-22-2)19-13-7-5-10-20(11-13)15-16(21)18-9-8-17-15/h8-9,13-14,19H,3-7,10-12H2,1-2H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyVONBAPIMOJXGDN-UONOGXRCSA-N
MW308.43 g/mol
LogP1.53
Rot. Bonds8

About 3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one

3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 129342939) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID129342939
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCCCC[C@H](COC)N[C@H]1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C16H28N4O2/c1-3-4-6-14(12-22-2)19-13-7-5-10-20(11-13)15-16(21)18-9-8-17-15/h8-9,13-14,19H,3-7,10-12H2,1-2H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyVONBAPIMOJXGDN-UONOGXRCSA-N
XLogP1.53
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one with MolForge

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Related Compounds

1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea
CID 167948895
3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129334795
4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476714
N-(1-methoxyhexan-2-yl)cyclopentanamine
CID 115704960
3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129332667
3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129007063
2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide
CID 154754888
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
CID 115650237
(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 129473040
3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one
CID 114571263
3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129337236
3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129473564

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one (CID 129342939) is 3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one is CCCC[C@H](COC)N[C@H]1CCCN(c2ncc[nH]c2=O)C1.
What is the InChIKey of 3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is VONBAPIMOJXGDN-UONOGXRCSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-3-4-6-14(12-22-2)19-13-7-5-10-20(11-13)15-16(21)18-9-8-17-15/h8-9,13-14,19H,3-7,10-12H2,1-2H3,(H,18,21)/t13-,14+/m0/s1.
What are the key properties of 3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 308.43 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 129342939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).