1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one

C18H28N6O — CID 128992107

IUPAC1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one
SMILESCCn1ccnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1=O
InChIInChI=1S/C18H28N6O/c1-5-24-10-8-19-17(18(24)25)22(3)12-14-7-6-9-21(2)16(14)15-11-20-23(4)13-15/h8,10-11,13-14,16H,5-7,9,12H2,1-4H3/t14-,16+/m0/s1
InChIKeyWEAKCFKTJHEADD-GOEBONIOSA-N
MW344.46 g/mol
LogP1.52
Rot. Bonds5

About 1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one

1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one (PubChem CID 128992107) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one
PubChem CID128992107
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one
SMILESCCn1ccnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1=O
InChIInChI=1S/C18H28N6O/c1-5-24-10-8-19-17(18(24)25)22(3)12-14-7-6-9-21(2)16(14)15-11-20-23(4)13-15/h8,10-11,13-14,16H,5-7,9,12H2,1-4H3/t14-,16+/m0/s1
InChIKeyWEAKCFKTJHEADD-GOEBONIOSA-N
XLogP1.52
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one with MolForge

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Related Compounds

6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine
CID 129006983
2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile
CID 128996893
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
CID 128998321
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 129329250
N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]but-2-en-1-amine
CID 128994586
N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]pyridin-4-amine
CID 167963596
4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 128998259
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129340224
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-pyridin-3-ylurea
CID 128996441
3-[(1R)-cyclohex-2-en-1-yl]-1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]urea
CID 129331565
2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 129004021
N-[3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]propyl]methanesulfonamide
CID 128998327

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one (CID 128992107) is 1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one is CCn1ccnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1=O.
What is the InChIKey of 1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one?
The InChIKey is WEAKCFKTJHEADD-GOEBONIOSA-N. The full InChI is InChI=1S/C18H28N6O/c1-5-24-10-8-19-17(18(24)25)22(3)12-14-7-6-9-21(2)16(14)15-11-20-23(4)13-15/h8,10-11,13-14,16H,5-7,9,12H2,1-4H3/t14-,16+/m0/s1.
What are the key properties of 1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one?
1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one has a molecular weight of 344.46 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one is sourced from PubChem (CID 128992107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).