1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C16H26N4O4 — CID 54232870

IUPAC1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(CN1CCN(C(=O)CN2CCCC2=O)CC1)N1CCOCC1
InChIInChI=1S/C16H26N4O4/c21-14-2-1-3-20(14)13-16(23)18-6-4-17(5-7-18)12-15(22)19-8-10-24-11-9-19/h1-13H2
InChIKeyQKMJJDWDBUGAQP-UHFFFAOYSA-N
MW338.41 g/mol
LogP-1.39
Rot. Bonds4

About 1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 54232870) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID54232870
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(CN1CCN(C(=O)CN2CCCC2=O)CC1)N1CCOCC1
InChIInChI=1S/C16H26N4O4/c21-14-2-1-3-20(14)13-16(23)18-6-4-17(5-7-18)12-15(22)19-8-10-24-11-9-19/h1-13H2
InChIKeyQKMJJDWDBUGAQP-UHFFFAOYSA-N
XLogP-1.39
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 54232870) is 1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one is O=C(CN1CCN(C(=O)CN2CCCC2=O)CC1)N1CCOCC1.
What is the InChIKey of 1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is QKMJJDWDBUGAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c21-14-2-1-3-20(14)13-16(23)18-6-4-17(5-7-18)12-15(22)19-8-10-24-11-9-19/h1-13H2.
What are the key properties of 1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 338.41 g/mol, XLogP of -1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 54232870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).