1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone

C16H22N2O4 — CID 154737297

IUPAC1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone
SMILESO=C(COc1cccnc1)N1CCOCC1C1CCCC1O
InChIInChI=1S/C16H22N2O4/c19-15-5-1-4-13(15)14-10-21-8-7-18(14)16(20)11-22-12-3-2-6-17-9-12/h2-3,6,9,13-15,19H,1,4-5,7-8,10-11H2
InChIKeyMCWXMBWIFYTUQK-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.85
Rot. Bonds4

About 1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone

1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone (PubChem CID 154737297) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone
PubChem CID154737297
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone
SMILESO=C(COc1cccnc1)N1CCOCC1C1CCCC1O
InChIInChI=1S/C16H22N2O4/c19-15-5-1-4-13(15)14-10-21-8-7-18(14)16(20)11-22-12-3-2-6-17-9-12/h2-3,6,9,13-15,19H,1,4-5,7-8,10-11H2
InChIKeyMCWXMBWIFYTUQK-UHFFFAOYSA-N
XLogP0.85
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
CID 129486902
2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987967
1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 129345663
1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(4-methoxyphenyl)ethanone
CID 129486962
3-(4-ethylphenyl)-1-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]propan-1-one
CID 129486670
1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 128993269
2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
CID 129486921
[3-(2-hydroxycyclopentyl)morpholin-4-yl]-(3-propoxyphenyl)methanone
CID 128987935
3-(3,5-dimethylphenyl)-1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]propan-1-one
CID 128987941
2-(3-fluorophenoxy)-1-[(2R)-2-[(3R,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129346265
[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 129486765
2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987997

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone (CID 154737297) is 1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone is O=C(COc1cccnc1)N1CCOCC1C1CCCC1O.
What is the InChIKey of 1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone?
The InChIKey is MCWXMBWIFYTUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-15-5-1-4-13(15)14-10-21-8-7-18(14)16(20)11-22-12-3-2-6-17-9-12/h2-3,6,9,13-15,19H,1,4-5,7-8,10-11H2.
What are the key properties of 1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone?
1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 306.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 154737297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).