[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone

C19H27N3O2 — CID 97026333

IUPAC[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
SMILESCC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C19H27N3O2/c1-2-14-12-22(13-18(14)21-6-8-24-9-7-21)19(23)17-10-16(17)15-4-3-5-20-11-15/h3-5,11,14,16-18H,2,6-10,12-13H2,1H3/t14-,16-,17-,18+/m1/s1
InChIKeyFMTKGROFFORLIU-DDBAPUKQSA-N
MW329.44 g/mol
LogP1.75
Rot. Bonds4

About [(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone

[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone (PubChem CID 97026333) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone.

Molecular Properties

Compound Name[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
PubChem CID97026333
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
SMILESCC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C19H27N3O2/c1-2-14-12-22(13-18(14)21-6-8-24-9-7-21)19(23)17-10-16(17)15-4-3-5-20-11-15/h3-5,11,14,16-18H,2,6-10,12-13H2,1H3/t14-,16-,17-,18+/m1/s1
InChIKeyFMTKGROFFORLIU-DDBAPUKQSA-N
XLogP1.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone with MolForge

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Related Compounds

[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 97012499
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755
[(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 98787381
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 98772739
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 129462021
3-[(1R,2R)-2-ethylcyclopropyl]pyridine
CID 142709158
[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 124824565
(3-aminopyrazin-2-yl)-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 71871958
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 95290618
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129461309
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 97026691
(2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026721

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone?
The IUPAC name of [(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone (CID 97026333) is [(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone.
What is the SMILES notation for [(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone?
The canonical SMILES for [(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone is CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)C[C@@H]1N1CCOCC1.
What is the InChIKey of [(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone?
The InChIKey is FMTKGROFFORLIU-DDBAPUKQSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-14-12-22(13-18(14)21-6-8-24-9-7-21)19(23)17-10-16(17)15-4-3-5-20-11-15/h3-5,11,14,16-18H,2,6-10,12-13H2,1H3/t14-,16-,17-,18+/m1/s1.
What are the key properties of [(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone?
[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone has a molecular weight of 329.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone is sourced from PubChem (CID 97026333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).