3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one

C20H28N4O2 — CID 129334795

IUPAC3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCOc1ccc(CC[C@@H](C)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)cc1
InChIInChI=1S/C20H28N4O2/c1-15(5-6-16-7-9-18(26-2)10-8-16)23-17-4-3-13-24(14-17)19-20(25)22-12-11-21-19/h7-12,15,17,23H,3-6,13-14H2,1-2H3,(H,22,25)/t15-,17-/m1/s1
InChIKeyHRYBCKQYUAPHBD-NVXWUHKLSA-N
MW356.47 g/mol
LogP2.36
Rot. Bonds7

About 3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one

3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 129334795) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID129334795
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCOc1ccc(CC[C@@H](C)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)cc1
InChIInChI=1S/C20H28N4O2/c1-15(5-6-16-7-9-18(26-2)10-8-16)23-17-4-3-13-24(14-17)19-20(25)22-12-11-21-19/h7-12,15,17,23H,3-6,13-14H2,1-2H3,(H,22,25)/t15-,17-/m1/s1
InChIKeyHRYBCKQYUAPHBD-NVXWUHKLSA-N
XLogP2.36
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one with MolForge

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Related Compounds

3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129332667
3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129342939
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476714
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52508766
(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 129473040
N-[4-(4-methoxyphenyl)butan-2-yl]thian-3-amine
CID 115726558
1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea
CID 167948895
3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129474909
3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]-1H-pyrazin-2-one
CID 128967013
N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792549
3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 128976310

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one (CID 129334795) is 3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one is COc1ccc(CC[C@@H](C)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)cc1.
What is the InChIKey of 3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is HRYBCKQYUAPHBD-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(5-6-16-7-9-18(26-2)10-8-16)23-17-4-3-13-24(14-17)19-20(25)22-12-11-21-19/h7-12,15,17,23H,3-6,13-14H2,1-2H3,(H,22,25)/t15-,17-/m1/s1.
What are the key properties of 3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 129334795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).