[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

C20H28N2O3 — CID 98772739

IUPAC[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@@H]2C[C@@H]2C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1
InChIInChI=1S/C20H28N2O3/c1-14-12-22(13-19(14)21-7-9-25-10-8-21)20(23)18-11-17(18)15-3-5-16(24-2)6-4-15/h3-6,14,17-19H,7-13H2,1-2H3/t14-,17+,18+,19+/m1/s1
InChIKeyJZNJEIDPRRUKQK-FCLVOEFKSA-N
MW344.46 g/mol
LogP1.98
Rot. Bonds4

About [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 98772739) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID98772739
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@@H]2C[C@@H]2C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1
InChIInChI=1S/C20H28N2O3/c1-14-12-22(13-19(14)21-7-9-25-10-8-21)20(23)18-11-17(18)15-3-5-16(24-2)6-4-15/h3-6,14,17-19H,7-13H2,1-2H3/t14-,17+,18+,19+/m1/s1
InChIKeyJZNJEIDPRRUKQK-FCLVOEFKSA-N
XLogP1.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 129462021
[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42825231
1-[3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42825906
1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea
CID 146120286
[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 97026333
[4-[2-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]phenyl] acetate
CID 124882838
N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 146120348
3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide
CID 146120343
1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
CID 146120284
[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentyl]-morpholin-4-ylmethanone
CID 146120324
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95274950
[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 91781820

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 98772739) is [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is COc1ccc([C@@H]2C[C@@H]2C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1.
What is the InChIKey of [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is JZNJEIDPRRUKQK-FCLVOEFKSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-12-22(13-19(14)21-7-9-25-10-8-21)20(23)18-11-17(18)15-3-5-16(24-2)6-4-15/h3-6,14,17-19H,7-13H2,1-2H3/t14-,17+,18+,19+/m1/s1.
What are the key properties of [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 98772739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).