N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride

C15H28Cl2N4O3 — CID 119890331

IUPACN-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC(=O)N(CCN2CCOCC2)C1)C1CCNC1
InChIInChI=1S/C15H26N4O3.2ClH/c20-14-9-13(17-15(21)12-1-2-16-10-12)11-19(14)4-3-18-5-7-22-8-6-18;;/h12-13,16H,1-11H2,(H,17,21);2*1H
InChIKeyYIYHCBXWBYKPKG-UHFFFAOYSA-N
MW383.32 g/mol
LogP-0.51
Rot. Bonds5

About N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride

N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119890331) has the molecular formula C15H28Cl2N4O3 and a molecular weight of 383.32 g/mol. Its IUPAC name is N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119890331
Molecular FormulaC15H28Cl2N4O3
Molecular Weight383.32 g/mol
Exact Mass382.15
IUPAC NameN-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC(=O)N(CCN2CCOCC2)C1)C1CCNC1
InChIInChI=1S/C15H26N4O3.2ClH/c20-14-9-13(17-15(21)12-1-2-16-10-12)11-19(14)4-3-18-5-7-22-8-6-18;;/h12-13,16H,1-11H2,(H,17,21);2*1H
InChIKeyYIYHCBXWBYKPKG-UHFFFAOYSA-N
XLogP-0.51
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119890331) is N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CC(=O)N(CCN2CCOCC2)C1)C1CCNC1.
What is the InChIKey of N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is YIYHCBXWBYKPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3.2ClH/c20-14-9-13(17-15(21)12-1-2-16-10-12)11-19(14)4-3-18-5-7-22-8-6-18;;/h12-13,16H,1-11H2,(H,17,21);2*1H.
What are the key properties of N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 383.32 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119890331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).