N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide

C13H25N3O2 — CID 114105696

IUPACN-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide
SMILESCCC1OCCC1CNC(=O)CN1CCNCC1
InChIInChI=1S/C13H25N3O2/c1-2-12-11(3-8-18-12)9-15-13(17)10-16-6-4-14-5-7-16/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyUATQPAUBEPPVJN-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.18
Rot. Bonds5

About N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide

N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide (PubChem CID 114105696) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide
PubChem CID114105696
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide
SMILESCCC1OCCC1CNC(=O)CN1CCNCC1
InChIInChI=1S/C13H25N3O2/c1-2-12-11(3-8-18-12)9-15-13(17)10-16-6-4-14-5-7-16/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyUATQPAUBEPPVJN-UHFFFAOYSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide (CID 114105696) is N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide is CCC1OCCC1CNC(=O)CN1CCNCC1.
What is the InChIKey of N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide?
The InChIKey is UATQPAUBEPPVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-12-11(3-8-18-12)9-15-13(17)10-16-6-4-14-5-7-16/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide?
N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide has a molecular weight of 255.36 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 114105696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).