1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

C27H27FN4O3 — CID 129454621

IUPAC1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccc(F)cc3)C2)c1
InChIInChI=1S/C27H27FN4O3/c28-22-8-10-23(11-9-22)35-26-25(29-12-13-30-26)21-6-2-15-32(18-21)27(34)20-5-1-4-19(16-20)17-31-14-3-7-24(31)33/h1,4-5,8-13,16,21H,2-3,6-7,14-15,17-18H2/t21-/m1/s1
InChIKeyFLKUNLNKVLXDAD-OAQYLSRUSA-N
MW474.54 g/mol
LogP4.55
Rot. Bonds6

About 1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 129454621) has the molecular formula C27H27FN4O3 and a molecular weight of 474.54 g/mol. Its IUPAC name is 1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID129454621
Molecular FormulaC27H27FN4O3
Molecular Weight474.54 g/mol
Exact Mass474.21
IUPAC Name1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccc(F)cc3)C2)c1
InChIInChI=1S/C27H27FN4O3/c28-22-8-10-23(11-9-22)35-26-25(29-12-13-30-26)21-6-2-15-32(18-21)27(34)20-5-1-4-19(16-20)17-31-14-3-7-24(31)33/h1,4-5,8-13,16,21H,2-3,6-7,14-15,17-18H2/t21-/m1/s1
InChIKeyFLKUNLNKVLXDAD-OAQYLSRUSA-N
XLogP4.55
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 45340369
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
[3-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 125015528
[3-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150633
[3-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 129453360
[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 132772994
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 129454307
1-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124589864
[(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822353
[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 110150700
1-[[3-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 9255772
2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide
CID 125006836

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (CID 129454621) is 1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cccc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccc(F)cc3)C2)c1.
What is the InChIKey of 1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is FLKUNLNKVLXDAD-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H27FN4O3/c28-22-8-10-23(11-9-22)35-26-25(29-12-13-30-26)21-6-2-15-32(18-21)27(34)20-5-1-4-19(16-20)17-31-14-3-7-24(31)33/h1,4-5,8-13,16,21H,2-3,6-7,14-15,17-18H2/t21-/m1/s1.
What are the key properties of 1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 474.54 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 129454621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).