N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide

C13H23N3O3 — CID 43603170

IUPACN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)C1CCOCC1
InChIInChI=1S/C13H23N3O3/c1-15(13(18)11-2-8-19-9-3-11)10-12(17)16-6-4-14-5-7-16/h11,14H,2-10H2,1H3
InChIKeyYCPPCPKPNNTWMI-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.70
Rot. Bonds3

About N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide (PubChem CID 43603170) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide
PubChem CID43603170
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)C1CCOCC1
InChIInChI=1S/C13H23N3O3/c1-15(13(18)11-2-8-19-9-3-11)10-12(17)16-6-4-14-5-7-16/h11,14H,2-10H2,1H3
InChIKeyYCPPCPKPNNTWMI-UHFFFAOYSA-N
XLogP-0.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide?
The IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide (CID 43603170) is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide is CN(CC(=O)N1CCNCC1)C(=O)C1CCOCC1.
What is the InChIKey of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide?
The InChIKey is YCPPCPKPNNTWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-15(13(18)11-2-8-19-9-3-11)10-12(17)16-6-4-14-5-7-16/h11,14H,2-10H2,1H3.
What are the key properties of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide?
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 43603170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).