1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione

C17H27N3O4 — CID 11348314

IUPAC1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCOCC1
InChIInChI=1S/C17H27N3O4/c21-15(18-10-12-24-13-11-18)5-6-16(22)20-9-3-4-14(20)17(23)19-7-1-2-8-19/h14H,1-13H2/t14-/m0/s1
InChIKeyNOWXRRGIYGHCPX-AWEZNQCLSA-N
MW337.42 g/mol
LogP0.24
Rot. Bonds4

About 1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione

1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione (PubChem CID 11348314) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
PubChem CID11348314
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCOCC1
InChIInChI=1S/C17H27N3O4/c21-15(18-10-12-24-13-11-18)5-6-16(22)20-9-3-4-14(20)17(23)19-7-1-2-8-19/h14H,1-13H2/t14-/m0/s1
InChIKeyNOWXRRGIYGHCPX-AWEZNQCLSA-N
XLogP0.24
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione 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-Cyclopentyl-3-(4-morpholinyl)-2,5-pyrrolidinedione
CID 6457912
methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 134796279
3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134797988
3-[1-[(2R)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134799018
2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110286061
2,2,2-trifluoro-1-[2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 133683955
2-(2,5-dimethylpyrrolidin-1-yl)-1-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 167885833
5-(Morpholine-4-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 3429043
1-Cyclopentyl-5-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 4087900
2-(Morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid
CID 18002301
1-[2-(Morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
CID 20706116
(1-Methylpyrrolidin-2-yl)-morpholin-4-ylmethanone
CID 21365754

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione?
The IUPAC name of 1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione (CID 11348314) is 1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione is O=C(CCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione?
The InChIKey is NOWXRRGIYGHCPX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O4/c21-15(18-10-12-24-13-11-18)5-6-16(22)20-9-3-4-14(20)17(23)19-7-1-2-8-19/h14H,1-13H2/t14-/m0/s1.
What are the key properties of 1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione?
1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione has a molecular weight of 337.42 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione is sourced from PubChem (CID 11348314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).