(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride

C17H32Cl2N4O3 — CID 69154387

IUPAC(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.N[C@H]1CCN([C@@H](CCN2CCCCC2)C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H30N4O3.2ClH/c18-14-4-9-21(16(14)22)15(5-8-19-6-2-1-3-7-19)17(23)20-10-12-24-13-11-20;;/h14-15H,1-13,18H2;2*1H/t14-,15-;;/m0../s1
InChIKeyFYQCIFYPYVJLSC-WVFPUEBHSA-N
MW411.37 g/mol
LogP0.49
Rot. Bonds5

About (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride

(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride (PubChem CID 69154387) has the molecular formula C17H32Cl2N4O3 and a molecular weight of 411.37 g/mol. Its IUPAC name is (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride
PubChem CID69154387
Molecular FormulaC17H32Cl2N4O3
Molecular Weight411.37 g/mol
Exact Mass410.19
IUPAC Name(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.N[C@H]1CCN([C@@H](CCN2CCCCC2)C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H30N4O3.2ClH/c18-14-4-9-21(16(14)22)15(5-8-19-6-2-1-3-7-19)17(23)20-10-12-24-13-11-20;;/h14-15H,1-13,18H2;2*1H/t14-,15-;;/m0../s1
InChIKeyFYQCIFYPYVJLSC-WVFPUEBHSA-N
XLogP0.49
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride?
The IUPAC name of (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride (CID 69154387) is (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride is Cl.Cl.N[C@H]1CCN([C@@H](CCN2CCCCC2)C(=O)N2CCOCC2)C1=O.
What is the InChIKey of (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride?
The InChIKey is FYQCIFYPYVJLSC-WVFPUEBHSA-N. The full InChI is InChI=1S/C17H30N4O3.2ClH/c18-14-4-9-21(16(14)22)15(5-8-19-6-2-1-3-7-19)17(23)20-10-12-24-13-11-20;;/h14-15H,1-13,18H2;2*1H/t14-,15-;;/m0../s1.
What are the key properties of (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride?
(3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride has a molecular weight of 411.37 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 69154387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).