1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

C19H22FN3O2 — CID 95403136

IUPAC1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCC[C@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H22FN3O2/c20-17-8-6-15(7-9-17)4-5-16-3-1-11-22(13-16)18(24)14-23-12-2-10-21-19(23)25/h2,6-10,12,16H,1,3-5,11,13-14H2/t16-/m1/s1
InChIKeyRKBKMDQFMGSLQL-MRXNPFEDSA-N
MW343.40 g/mol
LogP2.25
Rot. Bonds5

About 1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 95403136) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID95403136
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCC[C@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H22FN3O2/c20-17-8-6-15(7-9-17)4-5-16-3-1-11-22(13-16)18(24)14-23-12-2-10-21-19(23)25/h2,6-10,12,16H,1,3-5,11,13-14H2/t16-/m1/s1
InChIKeyRKBKMDQFMGSLQL-MRXNPFEDSA-N
XLogP2.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 95557612
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95542975
2-(dimethylamino)-1-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95549011
1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 124956590
1-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 56874156
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749
1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 97273855
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95552871
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56872964
1-[2-oxo-2-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 97210136

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 95403136) is 1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1CCC[C@H](CCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is RKBKMDQFMGSLQL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-17-8-6-15(7-9-17)4-5-16-3-1-11-22(13-16)18(24)14-23-12-2-10-21-19(23)25/h2,6-10,12,16H,1,3-5,11,13-14H2/t16-/m1/s1.
What are the key properties of 1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 343.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 95403136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).