4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide

C13H24N4O3 — CID 115294193

IUPAC4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C2(N)CCOCC2)CC1
InChIInChI=1S/C13H24N4O3/c1-2-15-12(19)17-7-5-16(6-8-17)11(18)13(14)3-9-20-10-4-13/h2-10,14H2,1H3,(H,15,19)
InChIKeyXOOXIEPDFKULLZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.63
Rot. Bonds2

About 4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide

4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 115294193) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide
PubChem CID115294193
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C2(N)CCOCC2)CC1
InChIInChI=1S/C13H24N4O3/c1-2-15-12(19)17-7-5-16(6-8-17)11(18)13(14)3-9-20-10-4-13/h2-10,14H2,1H3,(H,15,19)
InChIKeyXOOXIEPDFKULLZ-UHFFFAOYSA-N
XLogP-0.63
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide
CID 81173172
4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 120920168
(4-aminooxan-4-yl)-piperazin-1-ylmethanone
CID 115293706
4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115294360
(4-aminooxan-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115294424
(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 115293431
[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 115294224
(4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113280783
2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide
CID 81172624
(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 115295112
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
(4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 115294891

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide (CID 115294193) is 4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)C2(N)CCOCC2)CC1.
What is the InChIKey of 4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is XOOXIEPDFKULLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-2-15-12(19)17-7-5-16(6-8-17)11(18)13(14)3-9-20-10-4-13/h2-10,14H2,1H3,(H,15,19).
What are the key properties of 4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide?
4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 115294193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).