3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one

C20H27FN4O — CID 128974893

IUPAC3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCC(CCc1ccccc1F)NC1CCCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C20H27FN4O/c1-15(9-10-16-6-3-4-8-18(16)21)23-17-7-5-12-25(14-17)19-20(26)24(2)13-11-22-19/h3-4,6,8,11,13,15,17,23H,5,7,9-10,12,14H2,1-2H3
InChIKeyLWJWCIALEBTQKZ-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.50
Rot. Bonds6

About 3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one

3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 128974893) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID128974893
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCC(CCc1ccccc1F)NC1CCCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C20H27FN4O/c1-15(9-10-16-6-3-4-8-18(16)21)23-17-7-5-12-25(14-17)19-20(26)24(2)13-11-22-19/h3-4,6,8,11,13,15,17,23H,5,7,9-10,12,14H2,1-2H3
InChIKeyLWJWCIALEBTQKZ-UHFFFAOYSA-N
XLogP2.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 128976310
3-[(3R)-3-[[(2R)-1-methoxypropan-2-yl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475575
2,3-difluoro-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]benzamide
CID 129475393
3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475497
3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one
CID 151916637
3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128965839
1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one
CID 129474978
3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129334795
3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129332667
3-[(3R)-3-[(6,7-difluoroquinazolin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129331540
1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one
CID 136542354
1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129344132

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one (CID 128974893) is 3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one is CC(CCc1ccccc1F)NC1CCCN(c2nccn(C)c2=O)C1.
What is the InChIKey of 3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is LWJWCIALEBTQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-15(9-10-16-6-3-4-8-18(16)21)23-17-7-5-12-25(14-17)19-20(26)24(2)13-11-22-19/h3-4,6,8,11,13,15,17,23H,5,7,9-10,12,14H2,1-2H3.
What are the key properties of 3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 358.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 128974893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).