(4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

C20H20FN3O3 — CID 97274959

IUPAC(4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CC(Oc3ccccc3F)C2)CN1Cc1ccccn1
InChIInChI=1S/C20H20FN3O3/c21-17-6-1-2-7-18(17)27-16-12-24(13-16)20(26)14-9-19(25)23(10-14)11-15-5-3-4-8-22-15/h1-8,14,16H,9-13H2/t14-/m1/s1
InChIKeyQULAIQCNQSEZOR-CQSZACIVSA-N
MW369.40 g/mol
LogP1.86
Rot. Bonds5

About (4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

(4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 97274959) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is (4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID97274959
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name(4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CC(Oc3ccccc3F)C2)CN1Cc1ccccn1
InChIInChI=1S/C20H20FN3O3/c21-17-6-1-2-7-18(17)27-16-12-24(13-16)20(26)14-9-19(25)23(10-14)11-15-5-3-4-8-22-15/h1-8,14,16H,9-13H2/t14-/m1/s1
InChIKeyQULAIQCNQSEZOR-CQSZACIVSA-N
XLogP1.86
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 95532445
N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72919255
(4S)-1-tert-butyl-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97156288
(4S)-4-(4-methylsulfonylpiperazine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 94149560
(4S)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97275458
4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 131952282
(4R)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 38474545
(4S)-4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 51940683
1-butyl-4-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperazin-2-one
CID 97207249
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 38484249
4-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 131943570
(4S)-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97117430

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 97274959) is (4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CC(Oc3ccccc3F)C2)CN1Cc1ccccn1.
What is the InChIKey of (4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is QULAIQCNQSEZOR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-17-6-1-2-7-18(17)27-16-12-24(13-16)20(26)14-9-19(25)23(10-14)11-15-5-3-4-8-22-15/h1-8,14,16H,9-13H2/t14-/m1/s1.
What are the key properties of (4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
(4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 369.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 97274959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).