1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one

C15H22N6O — CID 129344132

IUPAC1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
SMILESCc1[nH]ncc1CN[C@H]1CCCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C15H22N6O/c1-11-12(9-18-19-11)8-17-13-4-3-6-21(10-13)14-15(22)20(2)7-5-16-14/h5,7,9,13,17H,3-4,6,8,10H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyYOJKUIDESASEAO-ZDUSSCGKSA-N
MW302.38 g/mol
LogP0.57
Rot. Bonds4

About 1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one

1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one (PubChem CID 129344132) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
PubChem CID129344132
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
SMILESCc1[nH]ncc1CN[C@H]1CCCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C15H22N6O/c1-11-12(9-18-19-11)8-17-13-4-3-6-21(10-13)14-15(22)20(2)7-5-16-14/h5,7,9,13,17H,3-4,6,8,10H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyYOJKUIDESASEAO-ZDUSSCGKSA-N
XLogP0.57
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 61210854
1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129338112
3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343468
1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129342215
1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
CID 64654324
5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile
CID 129343150
3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129474458
3-[(3R)-3-[[(2R)-1-methoxypropan-2-yl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475575
3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128965839
3-[(3S)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129473045
1-methyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazin-2-one
CID 62940429
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one (CID 129344132) is 1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one is Cc1[nH]ncc1CN[C@H]1CCCN(c2nccn(C)c2=O)C1.
What is the InChIKey of 1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The InChIKey is YOJKUIDESASEAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11-12(9-18-19-11)8-17-13-4-3-6-21(10-13)14-15(22)20(2)7-5-16-14/h5,7,9,13,17H,3-4,6,8,10H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one has a molecular weight of 302.38 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 129344132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).