(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone

C20H27NO3 — CID 129351779

IUPAC(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(C2CCC2)cc1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C20H27NO3/c22-19-6-2-5-17(19)18-13-24-12-11-21(18)20(23)16-9-7-15(8-10-16)14-3-1-4-14/h7-10,14,17-19,22H,1-6,11-13H2/t17-,18-,19+/m1/s1
InChIKeyNBHRSVLSAKONAQ-QRVBRYPASA-N
MW329.44 g/mol
LogP2.96
Rot. Bonds3

About (4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone

(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone (PubChem CID 129351779) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
PubChem CID129351779
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(C2CCC2)cc1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C20H27NO3/c22-19-6-2-5-17(19)18-13-24-12-11-21(18)20(23)16-9-7-15(8-10-16)14-3-1-4-14/h7-10,14,17-19,22H,1-6,11-13H2/t17-,18-,19+/m1/s1
InChIKeyNBHRSVLSAKONAQ-QRVBRYPASA-N
XLogP2.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide
CID 128987896
(5-bromofuran-3-yl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987926
4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
CID 119216482
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129491728
[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 129486765
2-[3-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholine-4-carbonyl]phenyl]acetonitrile
CID 129346739
(4-chloro-2,5-dimethylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987904
(4-chloro-2,5-dimethylphenyl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486915
(2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987900
[3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone
CID 128987935
(2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486470
(2-fluoro-5-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987910

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
The IUPAC name of (4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone (CID 129351779) is (4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone is O=C(c1ccc(C2CCC2)cc1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O.
What is the InChIKey of (4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
The InChIKey is NBHRSVLSAKONAQ-QRVBRYPASA-N. The full InChI is InChI=1S/C20H27NO3/c22-19-6-2-5-17(19)18-13-24-12-11-21(18)20(23)16-9-7-15(8-10-16)14-3-1-4-14/h7-10,14,17-19,22H,1-6,11-13H2/t17-,18-,19+/m1/s1.
What are the key properties of (4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone has a molecular weight of 329.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone is sourced from PubChem (CID 129351779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).