3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one

C18H23ClN4O — CID 129007063

IUPAC3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCc1cc(Cl)cc(C)c1CNC1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C18H23ClN4O/c1-12-8-14(19)9-13(2)16(12)10-22-15-4-3-7-23(11-15)17-18(24)21-6-5-20-17/h5-6,8-9,15,22H,3-4,7,10-11H2,1-2H3,(H,21,24)
InChIKeyLPIPPYQGQXPQFQ-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.80
Rot. Bonds4

About 3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one

3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 129007063) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID129007063
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCc1cc(Cl)cc(C)c1CNC1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C18H23ClN4O/c1-12-8-14(19)9-13(2)16(12)10-22-15-4-3-7-23(11-15)17-18(24)21-6-5-20-17/h5-6,8-9,15,22H,3-4,7,10-11H2,1-2H3,(H,21,24)
InChIKeyLPIPPYQGQXPQFQ-UHFFFAOYSA-N
XLogP2.80
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one with MolForge

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Related Compounds

3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129474909
3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129473564
3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]-1H-pyrazin-2-one
CID 128967013
3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129475293
3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129337236
3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129473298
3-[(3S)-3-(4-chloro-2-nitroanilino)piperidin-1-yl]-1H-pyrazin-2-one
CID 125138336
3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129342939
5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 129473562
3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
CID 129476907
4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476468
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
CID 115650237

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one (CID 129007063) is 3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one is Cc1cc(Cl)cc(C)c1CNC1CCCN(c2ncc[nH]c2=O)C1.
What is the InChIKey of 3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is LPIPPYQGQXPQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-12-8-14(19)9-13(2)16(12)10-22-15-4-3-7-23(11-15)17-18(24)21-6-5-20-17/h5-6,8-9,15,22H,3-4,7,10-11H2,1-2H3,(H,21,24).
What are the key properties of 3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 346.86 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 129007063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).