1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone

C19H26N2O3 — CID 124627145

IUPAC1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1cc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)ccc1C
InChIInChI=1S/C19H26N2O3/c1-13-4-5-16(10-17(13)15(3)22)19(23)21-11-14(2)18(12-21)20-6-8-24-9-7-20/h4-5,10,14,18H,6-9,11-12H2,1-3H3/t14-,18-/m0/s1
InChIKeyDBOZNJIRRYKUCX-KSSFIOAISA-N
MW330.43 g/mol
LogP1.99
Rot. Bonds3

About 1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone

1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone (PubChem CID 124627145) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone
PubChem CID124627145
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1cc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)ccc1C
InChIInChI=1S/C19H26N2O3/c1-13-4-5-16(10-17(13)15(3)22)19(23)21-11-14(2)18(12-21)20-6-8-24-9-7-20/h4-5,10,14,18H,6-9,11-12H2,1-3H3/t14-,18-/m0/s1
InChIKeyDBOZNJIRRYKUCX-KSSFIOAISA-N
XLogP1.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone with MolForge

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Related Compounds

(2-fluoro-4-hydroxyphenyl)-[(3S,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97339474
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110108296
[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 96513290
(4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 125140917
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 95780593
(3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide
CID 124574545
(5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 95780621
(3-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 143211757
2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 119899571
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 56909674
[4-[2-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]phenyl] acetate
CID 124882838
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone (CID 124627145) is 1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone is CC(=O)c1cc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)ccc1C.
What is the InChIKey of 1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone?
The InChIKey is DBOZNJIRRYKUCX-KSSFIOAISA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-4-5-16(10-17(13)15(3)22)19(23)21-11-14(2)18(12-21)20-6-8-24-9-7-20/h4-5,10,14,18H,6-9,11-12H2,1-3H3/t14-,18-/m0/s1.
What are the key properties of 1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone?
1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 124627145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).