2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile

C18H22N2O4 — CID 128987967

IUPAC2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)N1CCOCC1C1CCCC1O
InChIInChI=1S/C18H22N2O4/c19-10-13-4-1-2-7-17(13)24-12-18(22)20-8-9-23-11-15(20)14-5-3-6-16(14)21/h1-2,4,7,14-16,21H,3,5-6,8-9,11-12H2
InChIKeyZWRDEYFWBFYUKX-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.33
Rot. Bonds4

About 2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile

2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile (PubChem CID 128987967) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
PubChem CID128987967
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)N1CCOCC1C1CCCC1O
InChIInChI=1S/C18H22N2O4/c19-10-13-4-1-2-7-17(13)24-12-18(22)20-8-9-23-11-15(20)14-5-3-6-16(14)21/h1-2,4,7,14-16,21H,3,5-6,8-9,11-12H2
InChIKeyZWRDEYFWBFYUKX-UHFFFAOYSA-N
XLogP1.33
TPSA82.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987997
2-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 93044931
1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 154737297
2-(3-chlorophenoxy)-1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
CID 129486902
2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483866
1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 129345663
1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide
CID 43183682
2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
CID 129486921
2-[2-[(4aR,7aS)-6-methyl-5-oxo-2,3,4,4a,7,7a-hexahydropyrrolo[3,4-b]pyridin-1-yl]-2-oxoethoxy]benzonitrile
CID 120954900
2-[3-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholine-4-carbonyl]phenyl]acetonitrile
CID 129346739
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 102738509
3-(4-ethylphenyl)-1-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]propan-1-one
CID 129486670

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile?
The IUPAC name of 2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile (CID 128987967) is 2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile?
The canonical SMILES for 2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile is N#Cc1ccccc1OCC(=O)N1CCOCC1C1CCCC1O.
What is the InChIKey of 2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile?
The InChIKey is ZWRDEYFWBFYUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c19-10-13-4-1-2-7-17(13)24-12-18(22)20-8-9-23-11-15(20)14-5-3-6-16(14)21/h1-2,4,7,14-16,21H,3,5-6,8-9,11-12H2.
What are the key properties of 2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile?
2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile has a molecular weight of 330.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 128987967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).