2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile

C19H26N2O3 — CID 129483611

IUPAC2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile
SMILESCO[C@@H]1CCC[C@H]1[C@H]1COCCN1CCOc1ccccc1C#N
InChIInChI=1S/C19H26N2O3/c1-22-19-8-4-6-16(19)17-14-23-11-9-21(17)10-12-24-18-7-3-2-5-15(18)13-20/h2-3,5,7,16-17,19H,4,6,8-12,14H2,1H3/t16-,17+,19+/m0/s1
InChIKeyFXUKXLQWZGQUJP-YQVWRLOYSA-N
MW330.43 g/mol
LogP2.45
Rot. Bonds6

About 2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile

2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile (PubChem CID 129483611) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile
PubChem CID129483611
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile
SMILESCO[C@@H]1CCC[C@H]1[C@H]1COCCN1CCOc1ccccc1C#N
InChIInChI=1S/C19H26N2O3/c1-22-19-8-4-6-16(19)17-14-23-11-9-21(17)10-12-24-18-7-3-2-5-15(18)13-20/h2-3,5,7,16-17,19H,4,6,8-12,14H2,1H3/t16-,17+,19+/m0/s1
InChIKeyFXUKXLQWZGQUJP-YQVWRLOYSA-N
XLogP2.45
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483436
2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987997
2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile
CID 43613135
4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129482744
2-fluoro-5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483755
2-fluoro-4-[[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129351578
2-[4-[2-(2-fluorophenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985759
2-[3-(3-methoxy-4-methylpiperidin-1-yl)propoxy]benzonitrile
CID 102957784
3-fluoro-4-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483965
2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987967
3-fluoro-4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483966
2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483866

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile (CID 129483611) is 2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile is CO[C@@H]1CCC[C@H]1[C@H]1COCCN1CCOc1ccccc1C#N.
What is the InChIKey of 2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile?
The InChIKey is FXUKXLQWZGQUJP-YQVWRLOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-22-19-8-4-6-16(19)17-14-23-11-9-21(17)10-12-24-18-7-3-2-5-15(18)13-20/h2-3,5,7,16-17,19H,4,6,8-12,14H2,1H3/t16-,17+,19+/m0/s1.
What are the key properties of 2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile?
2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile has a molecular weight of 330.43 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile is sourced from PubChem (CID 129483611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).