1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one

C15H24N4O3 — CID 129351763

IUPAC1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one
SMILESCO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCn1ccnn1
InChIInChI=1S/C15H24N4O3/c1-21-14-4-2-3-12(14)13-11-22-10-9-19(13)15(20)5-7-18-8-6-16-17-18/h6,8,12-14H,2-5,7,9-11H2,1H3/t12-,13-,14-/m1/s1
InChIKeySLXLPZNGUZPSTC-MGPQQGTHSA-N
MW308.38 g/mol
LogP0.71
Rot. Bonds5

About 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one

1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one (PubChem CID 129351763) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one
PubChem CID129351763
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one
SMILESCO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCn1ccnn1
InChIInChI=1S/C15H24N4O3/c1-21-14-4-2-3-12(14)13-11-22-10-9-19(13)15(20)5-7-18-8-6-16-17-18/h6,8,12-14H,2-5,7,9-11H2,1H3/t12-,13-,14-/m1/s1
InChIKeySLXLPZNGUZPSTC-MGPQQGTHSA-N
XLogP0.71
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one
CID 129351762
1-[3-(2-methoxycyclopentyl)morpholin-4-yl]-3-(triazol-1-yl)propan-1-one
CID 128987996
1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone
CID 129487190
3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one
CID 129351728
2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone
CID 167905349
methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate
CID 113251792
2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987997
[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 129487071
[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 129487072
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211077
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(triazol-1-yl)propan-1-one
CID 43594543
1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43417117

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one (CID 129351763) is 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one is CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCn1ccnn1.
What is the InChIKey of 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one?
The InChIKey is SLXLPZNGUZPSTC-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-21-14-4-2-3-12(14)13-11-22-10-9-19(13)15(20)5-7-18-8-6-16-17-18/h6,8,12-14H,2-5,7,9-11H2,1H3/t12-,13-,14-/m1/s1.
What are the key properties of 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one?
1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one has a molecular weight of 308.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 129351763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).