2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one

C20H22F2N2O3 — CID 95558043

IUPAC2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)cc1=O
InChIInChI=1S/C20H22F2N2O3/c1-27-19-11-23-17(10-18(19)25)20(26)24-8-2-3-14(12-24)5-4-13-6-7-15(21)16(22)9-13/h6-7,9-11,14H,2-5,8,12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyOJVLJDLHDJKVFV-AWEZNQCLSA-N
MW376.40 g/mol
LogP3.15
Rot. Bonds5

About 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one

2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one (PubChem CID 95558043) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
PubChem CID95558043
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)cc1=O
InChIInChI=1S/C20H22F2N2O3/c1-27-19-11-23-17(10-18(19)25)20(26)24-8-2-3-14(12-24)5-4-13-6-7-15(21)16(22)9-13/h6-7,9-11,14H,2-5,8,12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyOJVLJDLHDJKVFV-AWEZNQCLSA-N
XLogP3.15
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 95502942
2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 95728663
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25455738
[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone
CID 42191853
5-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95476499
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 42298601
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 95545441
1-[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56870699
5-methoxy-2-[2-(2-phenylethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 56873403
1-[5-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 56877097
1-[5-[3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 45208957
2-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 95719935

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one (CID 95558043) is 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(C(=O)N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)cc1=O.
What is the InChIKey of 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
The InChIKey is OJVLJDLHDJKVFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-27-19-11-23-17(10-18(19)25)20(26)24-8-2-3-14(12-24)5-4-13-6-7-15(21)16(22)9-13/h6-7,9-11,14H,2-5,8,12H2,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one has a molecular weight of 376.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 95558043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).