2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide

C13H24N4O2 — CID 81172624

IUPAC2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)C2(N)CCC2)CC1
InChIInChI=1S/C13H24N4O2/c1-2-15-11(18)10-16-6-8-17(9-7-16)12(19)13(14)4-3-5-13/h2-10,14H2,1H3,(H,15,18)
InChIKeyLAOGGNKQGJREOC-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.85
Rot. Bonds4

About 2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide

2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide (PubChem CID 81172624) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide
PubChem CID81172624
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)C2(N)CCC2)CC1
InChIInChI=1S/C13H24N4O2/c1-2-15-11(18)10-16-6-8-17(9-7-16)12(19)13(14)4-3-5-13/h2-10,14H2,1H3,(H,15,18)
InChIKeyLAOGGNKQGJREOC-UHFFFAOYSA-N
XLogP-0.85
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide (CID 81172624) is 2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(=O)C2(N)CCC2)CC1.
What is the InChIKey of 2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide?
The InChIKey is LAOGGNKQGJREOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-2-15-11(18)10-16-6-8-17(9-7-16)12(19)13(14)4-3-5-13/h2-10,14H2,1H3,(H,15,18).
What are the key properties of 2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide?
2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide has a molecular weight of 268.36 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 81172624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).