2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone

C24H29FN2O3 — CID 155505230

IUPAC2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H29FN2O3/c25-20-8-4-5-18(15-20)16-23(29)27-13-14-30-22(17-26-11-9-21(28)10-12-26)24(27)19-6-2-1-3-7-19/h1-8,15,21-22,24,28H,9-14,16-17H2/t22-,24-/m0/s1
InChIKeyMVBWTPRDZSIXDO-UPVQGACJSA-N
MW412.51 g/mol
LogP2.79
Rot. Bonds5

About 2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone

2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone (PubChem CID 155505230) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
PubChem CID155505230
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H29FN2O3/c25-20-8-4-5-18(15-20)16-23(29)27-13-14-30-22(17-26-11-9-21(28)10-12-26)24(27)19-6-2-1-3-7-19/h1-8,15,21-22,24,28H,9-14,16-17H2/t22-,24-/m0/s1
InChIKeyMVBWTPRDZSIXDO-UPVQGACJSA-N
XLogP2.79
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
CID 155505758
2-ethoxy-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
CID 155496818
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
CID 154821755
2-[4-(hydroxymethyl)phenyl]-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155510119
(3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone
CID 155509773
[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone
CID 154818944
(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505780
2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
CID 155503401
(4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155504611
2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride
CID 155940011
3-cyclobutyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 155507576
2-(3-methyl-1,2-oxazol-5-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155506908

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone (CID 155505230) is 2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone?
The InChIKey is MVBWTPRDZSIXDO-UPVQGACJSA-N. The full InChI is InChI=1S/C24H29FN2O3/c25-20-8-4-5-18(15-20)16-23(29)27-13-14-30-22(17-26-11-9-21(28)10-12-26)24(27)19-6-2-1-3-7-19/h1-8,15,21-22,24,28H,9-14,16-17H2/t22-,24-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone?
2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone has a molecular weight of 412.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone is sourced from PubChem (CID 155505230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).