[3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone

C19H27NO4 — CID 128987935

IUPAC[3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CCOCC2C2CCCC2O)c1
InChIInChI=1S/C19H27NO4/c1-2-10-24-15-6-3-5-14(12-15)19(22)20-9-11-23-13-17(20)16-7-4-8-18(16)21/h3,5-6,12,16-18,21H,2,4,7-11,13H2,1H3
InChIKeyHLHWNVYACJZGFQ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.48
Rot. Bonds5

About [3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone

[3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone (PubChem CID 128987935) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is [3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone
PubChem CID128987935
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name[3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CCOCC2C2CCCC2O)c1
InChIInChI=1S/C19H27NO4/c1-2-10-24-15-6-3-5-14(12-15)19(22)20-9-11-23-13-17(20)16-7-4-8-18(16)21/h3,5-6,12,16-18,21H,2,4,7-11,13H2,1H3
InChIKeyHLHWNVYACJZGFQ-UHFFFAOYSA-N
XLogP2.48
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 129486765
3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide
CID 128987896
2-[3-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholine-4-carbonyl]phenyl]acetonitrile
CID 129346739
2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
CID 129486902
trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol
CID 129484070
(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129351779
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
(2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987900
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129491728
(5-bromofuran-3-yl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987926
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069
1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 154737297

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone?
The IUPAC name of [3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone (CID 128987935) is [3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone.
What is the SMILES notation for [3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone?
The canonical SMILES for [3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)N2CCOCC2C2CCCC2O)c1.
What is the InChIKey of [3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone?
The InChIKey is HLHWNVYACJZGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-2-10-24-15-6-3-5-14(12-15)19(22)20-9-11-23-13-17(20)16-7-4-8-18(16)21/h3,5-6,12,16-18,21H,2,4,7-11,13H2,1H3.
What are the key properties of [3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone?
[3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone has a molecular weight of 333.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone is sourced from PubChem (CID 128987935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).