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

C18H24N2O2 — CID 129483436

IUPAC2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
SMILESCO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1ccccc1C#N
InChIInChI=1S/C18H24N2O2/c1-21-18-8-4-7-16(18)17-13-22-10-9-20(17)12-15-6-3-2-5-14(15)11-19/h2-3,5-6,16-18H,4,7-10,12-13H2,1H3/t16-,17-,18-/m1/s1
InChIKeyNNNZOSUZYLFAJV-KZNAEPCWSA-N
MW300.40 g/mol
LogP2.57
Rot. Bonds4

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

2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile (PubChem CID 129483436) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
PubChem CID129483436
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
SMILESCO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1ccccc1C#N
InChIInChI=1S/C18H24N2O2/c1-21-18-8-4-7-16(18)17-13-22-10-9-20(17)12-15-6-3-2-5-14(15)11-19/h2-3,5-6,16-18H,4,7-10,12-13H2,1H3/t16-,17-,18-/m1/s1
InChIKeyNNNZOSUZYLFAJV-KZNAEPCWSA-N
XLogP2.57
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile with MolForge

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Related Compounds

2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483866
2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile
CID 129483611
4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129482744
3-fluoro-4-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483965
2-fluoro-5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483755
2-fluoro-5-[[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483754
2-fluoro-4-[[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129351578
3-fluoro-4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483966
5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 129351441
2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987997
(3S)-4-(1H-imidazol-5-ylmethyl)-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129351443
3-[[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]-4-methoxybenzonitrile
CID 129346535

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile (CID 129483436) is 2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile is CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1ccccc1C#N.
What is the InChIKey of 2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile?
The InChIKey is NNNZOSUZYLFAJV-KZNAEPCWSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-21-18-8-4-7-16(18)17-13-22-10-9-20(17)12-15-6-3-2-5-14(15)11-19/h2-3,5-6,16-18H,4,7-10,12-13H2,1H3/t16-,17-,18-/m1/s1.
What are the key properties of 2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile?
2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile has a molecular weight of 300.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 129483436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).