(2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone

C17H22FNO3 — CID 129486470

IUPAC(2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
SMILESCc1ccc(F)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1
InChIInChI=1S/C17H22FNO3/c1-11-5-6-14(18)13(9-11)17(21)19-7-8-22-10-15(19)12-3-2-4-16(12)20/h5-6,9,12,15-16,20H,2-4,7-8,10H2,1H3/t12-,15+,16-/m0/s1
InChIKeyAOYCBQSISFRSFR-MAZHCROVSA-N
MW307.36 g/mol
LogP2.14
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone

(2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone (PubChem CID 129486470) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
PubChem CID129486470
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name(2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
SMILESCc1ccc(F)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1
InChIInChI=1S/C17H22FNO3/c1-11-5-6-14(18)13(9-11)17(21)19-7-8-22-10-15(19)12-3-2-4-16(12)20/h5-6,9,12,15-16,20H,2-4,7-8,10H2,1H3/t12-,15+,16-/m0/s1
InChIKeyAOYCBQSISFRSFR-MAZHCROVSA-N
XLogP2.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-5-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987910
(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486996
(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486997
(2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987900
(2-chloro-4,5-dimethylphenyl)-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486930
(4-chloro-2,5-dimethylphenyl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486915
(4-chloro-2,5-dimethylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987904
(5,6-dimethyl-1-benzofuran-3-yl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486999
(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129351779
3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide
CID 128987896
3-(3,5-dimethylphenyl)-1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]propan-1-one
CID 128987941
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129491728

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone (CID 129486470) is (2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone is Cc1ccc(F)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
The InChIKey is AOYCBQSISFRSFR-MAZHCROVSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-11-5-6-14(18)13(9-11)17(21)19-7-8-22-10-15(19)12-3-2-4-16(12)20/h5-6,9,12,15-16,20H,2-4,7-8,10H2,1H3/t12-,15+,16-/m0/s1.
What are the key properties of (2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
(2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone has a molecular weight of 307.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone is sourced from PubChem (CID 129486470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).