3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one

C19H30N4O — CID 129474458

IUPAC3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C19H30N4O/c1-14-6-4-7-15(2)17(14)12-21-16-8-5-10-23(13-16)18-19(24)22(3)11-9-20-18/h6,9,11,15-17,21H,4-5,7-8,10,12-13H2,1-3H3/t15-,16-,17+/m0/s1
InChIKeyMXUIKLMPSCUHTK-YESZJQIVSA-N
MW330.48 g/mol
LogP2.33
Rot. Bonds4

About 3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one

3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 129474458) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID129474458
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C19H30N4O/c1-14-6-4-7-15(2)17(14)12-21-16-8-5-10-23(13-16)18-19(24)22(3)11-9-20-18/h6,9,11,15-17,21H,4-5,7-8,10,12-13H2,1-3H3/t15-,16-,17+/m0/s1
InChIKeyMXUIKLMPSCUHTK-YESZJQIVSA-N
XLogP2.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one with MolForge

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Related Compounds

3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343468
1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129344132
3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 62938713
3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128965839
1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one
CID 136542354
tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129338112
3-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 154736082
3-[(3R)-3-[[(2R)-1-methoxypropan-2-yl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475575
3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128995472

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one (CID 129474458) is 3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one is CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCCN(c2nccn(C)c2=O)C1.
What is the InChIKey of 3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is MXUIKLMPSCUHTK-YESZJQIVSA-N. The full InChI is InChI=1S/C19H30N4O/c1-14-6-4-7-15(2)17(14)12-21-16-8-5-10-23(13-16)18-19(24)22(3)11-9-20-18/h6,9,11,15-17,21H,4-5,7-8,10,12-13H2,1-3H3/t15-,16-,17+/m0/s1.
What are the key properties of 3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 330.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 129474458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).