2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

C19H23FN4O — CID 95819329

IUPAC2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1
InChIInChI=1S/C19H23FN4O/c1-23(2)13-17(25)24-11-5-6-14(12-24)18-19(22-10-9-21-18)15-7-3-4-8-16(15)20/h3-4,7-10,14H,5-6,11-13H2,1-2H3/t14-/m0/s1
InChIKeyBCVKLHOCQQJECC-AWEZNQCLSA-N
MW342.42 g/mol
LogP2.55
Rot. Bonds4

About 2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95819329) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95819329
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1
InChIInChI=1S/C19H23FN4O/c1-23(2)13-17(25)24-11-5-6-14(12-24)18-19(22-10-9-21-18)15-7-3-4-8-16(15)20/h3-4,7-10,14H,5-6,11-13H2,1-2H3/t14-/m0/s1
InChIKeyBCVKLHOCQQJECC-AWEZNQCLSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819094
2-(4-fluorophenyl)-1-[3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255072
3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95819416
[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818958
1-[3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110255191
2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
CID 95818585
1-[(3S)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95818890
2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine
CID 110255013
2-(dimethylamino)-1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946413
2-(2-fluorophenyl)-3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrazine
CID 110254812
2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95818834
2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819209

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95819329) is 2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is CN(C)CC(=O)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1.
What is the InChIKey of 2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is BCVKLHOCQQJECC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-23(2)13-17(25)24-11-5-6-14(12-24)18-19(22-10-9-21-18)15-7-3-4-8-16(15)20/h3-4,7-10,14H,5-6,11-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 342.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95819329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).