2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide

C12H21N3O3 — CID 79760319

IUPAC2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C12H21N3O3/c1-9-10(2-7-18-9)12(17)14-8-11(16)15-5-3-13-4-6-15/h9-10,13H,2-8H2,1H3,(H,14,17)
InChIKeyDPLIQHBDQTVYPD-UHFFFAOYSA-N
MW255.32 g/mol
LogP-1.04
Rot. Bonds3

About 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide

2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide (PubChem CID 79760319) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide
PubChem CID79760319
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C12H21N3O3/c1-9-10(2-7-18-9)12(17)14-8-11(16)15-5-3-13-4-6-15/h9-10,13H,2-8H2,1H3,(H,14,17)
InChIKeyDPLIQHBDQTVYPD-UHFFFAOYSA-N
XLogP-1.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide (CID 79760319) is 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide is CC1OCCC1C(=O)NCC(=O)N1CCNCC1.
What is the InChIKey of 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide?
The InChIKey is DPLIQHBDQTVYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9-10(2-7-18-9)12(17)14-8-11(16)15-5-3-13-4-6-15/h9-10,13H,2-8H2,1H3,(H,14,17).
What are the key properties of 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide?
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 79760319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).