(4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone

C23H27FN2O3 — CID 155504611

IUPAC(4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
SMILESCOc1cc(F)ccc1C(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H27FN2O3/c1-28-20-15-18(24)9-10-19(20)23(27)26-13-14-29-21(16-25-11-5-6-12-25)22(26)17-7-3-2-4-8-17/h2-4,7-10,15,21-22H,5-6,11-14,16H2,1H3/t21-,22-/m0/s1
InChIKeyPOROMFUHELGDTJ-VXKWHMMOSA-N
MW398.48 g/mol
LogP3.51
Rot. Bonds5

About (4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone

(4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone (PubChem CID 155504611) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is (4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
PubChem CID155504611
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name(4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
SMILESCOc1cc(F)ccc1C(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H27FN2O3/c1-28-20-15-18(24)9-10-19(20)23(27)26-13-14-29-21(16-25-11-5-6-12-25)22(26)17-7-3-2-4-8-17/h2-4,7-10,15,21-22H,5-6,11-14,16H2,1H3/t21-,22-/m0/s1
InChIKeyPOROMFUHELGDTJ-VXKWHMMOSA-N
XLogP3.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 154816760
(4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155501310
(4-hydroxy-2-methylphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155495519
6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 155495404
(3-chloro-4-methylphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155499818
4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one
CID 155504432
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155492890
6-methyl-4-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 155507255
5-oxo-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentanamide
CID 155497327
4-amino-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 155505419
[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2-methoxyphenyl)methanone
CID 134706013
(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505780

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?
The IUPAC name of (4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone (CID 155504611) is (4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone is COc1cc(F)ccc1C(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1.
What is the InChIKey of (4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?
The InChIKey is POROMFUHELGDTJ-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-28-20-15-18(24)9-10-19(20)23(27)26-13-14-29-21(16-25-11-5-6-12-25)22(26)17-7-3-2-4-8-17/h2-4,7-10,15,21-22H,5-6,11-14,16H2,1H3/t21-,22-/m0/s1.
What are the key properties of (4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?
(4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone has a molecular weight of 398.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 155504611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).