(3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone

C22H26FN3O3 — CID 155509773

IUPAC(3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone
SMILESO=C(c1ccncc1F)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H26FN3O3/c23-19-14-24-9-6-18(19)22(28)26-12-13-29-20(15-25-10-7-17(27)8-11-25)21(26)16-4-2-1-3-5-16/h1-6,9,14,17,20-21,27H,7-8,10-13,15H2/t20-,21-/m0/s1
InChIKeyNZOXOFWVSVWOAA-SFTDATJTSA-N
MW399.47 g/mol
LogP2.26
Rot. Bonds4

About (3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone

(3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone (PubChem CID 155509773) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone
PubChem CID155509773
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name(3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone
SMILESO=C(c1ccncc1F)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H26FN3O3/c23-19-14-24-9-6-18(19)22(28)26-12-13-29-20(15-25-10-7-17(27)8-11-25)21(26)16-4-2-1-3-5-16/h1-6,9,14,17,20-21,27H,7-8,10-13,15H2/t20-,21-/m0/s1
InChIKeyNZOXOFWVSVWOAA-SFTDATJTSA-N
XLogP2.26
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155501310
(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505780
[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone
CID 154818944
2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
CID 155505230
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
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
(2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 154816760
3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one
CID 155502177
(4-fluoro-2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155504611
(4-hydroxy-2-methylphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155495519
(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one
CID 97014985

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone (CID 155509773) is (3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone is O=C(c1ccncc1F)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone?
The InChIKey is NZOXOFWVSVWOAA-SFTDATJTSA-N. The full InChI is InChI=1S/C22H26FN3O3/c23-19-14-24-9-6-18(19)22(28)26-12-13-29-20(15-25-10-7-17(27)8-11-25)21(26)16-4-2-1-3-5-16/h1-6,9,14,17,20-21,27H,7-8,10-13,15H2/t20-,21-/m0/s1.
What are the key properties of (3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone?
(3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone has a molecular weight of 399.47 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 155509773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).