(4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one

C17H29N3O3 — CID 97026341

IUPAC(4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
SMILESCC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C17H29N3O3/c1-3-13-11-20(12-15(13)19-6-8-23-9-7-19)17(22)14-4-5-18(2)16(21)10-14/h13-15H,3-12H2,1-2H3/t13-,14-,15+/m1/s1
InChIKeyKCFNHNLSFLDWAK-KFWWJZLASA-N
MW323.44 g/mol
LogP0.42
Rot. Bonds3

About (4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one

(4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one (PubChem CID 97026341) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is (4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
PubChem CID97026341
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name(4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
SMILESCC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C17H29N3O3/c1-3-13-11-20(12-15(13)19-6-8-23-9-7-19)17(22)14-4-5-18(2)16(21)10-14/h13-15H,3-12H2,1-2H3/t13-,14-,15+/m1/s1
InChIKeyKCFNHNLSFLDWAK-KFWWJZLASA-N
XLogP0.42
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
CID 129490529
[(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 98787381
1-[(2S)-1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]piperidin-2-one
CID 98787422
(4R)-4-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-1-methylpiperidin-2-one
CID 129349181
1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119136731
6-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 97026677
(3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026553
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride
CID 120742550
(2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026721
4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one
CID 154842383
(2S)-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
CID 98785151
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 154737500

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one?
The IUPAC name of (4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one (CID 97026341) is (4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one.
What is the SMILES notation for (4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one?
The canonical SMILES for (4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one is CC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@@H]1N1CCOCC1.
What is the InChIKey of (4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one?
The InChIKey is KCFNHNLSFLDWAK-KFWWJZLASA-N. The full InChI is InChI=1S/C17H29N3O3/c1-3-13-11-20(12-15(13)19-6-8-23-9-7-19)17(22)14-4-5-18(2)16(21)10-14/h13-15H,3-12H2,1-2H3/t13-,14-,15+/m1/s1.
What are the key properties of (4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one?
(4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 97026341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).