(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one

C19H23FN2O3 — CID 94098725

IUPAC(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CN1CC1CC1
InChIInChI=1S/C19H23FN2O3/c20-16-5-3-14(4-6-16)17-12-21(7-8-25-17)19(24)15-9-18(23)22(11-15)10-13-1-2-13/h3-6,13,15,17H,1-2,7-12H2/t15-,17-/m1/s1
InChIKeyFBPLNWMYYJODQI-NVXWUHKLSA-N
MW346.40 g/mol
LogP1.98
Rot. Bonds4

About (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one

(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one (PubChem CID 94098725) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
PubChem CID94098725
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CN1CC1CC1
InChIInChI=1S/C19H23FN2O3/c20-16-5-3-14(4-6-16)17-12-21(7-8-25-17)19(24)15-9-18(23)22(11-15)10-13-1-2-13/h3-6,13,15,17H,1-2,7-12H2/t15-,17-/m1/s1
InChIKeyFBPLNWMYYJODQI-NVXWUHKLSA-N
XLogP1.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 95569973
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
(5S)-5-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-2-one
CID 94159203
(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 96996747
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365
[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 94005516
1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 94037830
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119112320
[2-(4-fluorophenyl)cyclopropyl]-(2-phenylmorpholin-4-yl)methanone
CID 134040067
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120615823
(4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 95174415
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one (CID 94098725) is (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CN1CC1CC1.
What is the InChIKey of (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is FBPLNWMYYJODQI-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H23FN2O3/c20-16-5-3-14(4-6-16)17-12-21(7-8-25-17)19(24)15-9-18(23)22(11-15)10-13-1-2-13/h3-6,13,15,17H,1-2,7-12H2/t15-,17-/m1/s1.
What are the key properties of (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 346.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 94098725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).