(3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

C19H25N3O5 — CID 52528755

IUPAC(3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc2c1OCO2)[C@@H]1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C19H25N3O5/c23-17-10-15(12-22(17)5-4-21-6-8-25-9-7-21)19(24)20-11-14-2-1-3-16-18(14)27-13-26-16/h1-3,15H,4-13H2,(H,20,24)/t15-/m1/s1
InChIKeyBERXHSBOCBPSSB-OAHLLOKOSA-N
MW375.43 g/mol
LogP0.21
Rot. Bonds6

About (3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 52528755) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is (3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID52528755
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name(3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc2c1OCO2)[C@@H]1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C19H25N3O5/c23-17-10-15(12-22(17)5-4-21-6-8-25-9-7-21)19(24)20-11-14-2-1-3-16-18(14)27-13-26-16/h1-3,15H,4-13H2,(H,20,24)/t15-/m1/s1
InChIKeyBERXHSBOCBPSSB-OAHLLOKOSA-N
XLogP0.21
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 166254690
1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113184203
N-(2-amino-2-phenylethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119529290
N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 166372523
N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119508727
N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119408328
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182995
(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95046533
N-(2,5-dimethylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182982
(3R)-1-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39568663
N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 166259890

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 52528755) is (3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCc1cccc2c1OCO2)[C@@H]1CC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of (3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BERXHSBOCBPSSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O5/c23-17-10-15(12-22(17)5-4-21-6-8-25-9-7-21)19(24)20-11-14-2-1-3-16-18(14)27-13-26-16/h1-3,15H,4-13H2,(H,20,24)/t15-/m1/s1.
What are the key properties of (3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52528755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).