4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide

C13H24N4O3 — CID 115294360

IUPAC4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)C2(N)CCOCC2)CC1
InChIInChI=1S/C13H24N4O3/c1-15(2)12(19)17-7-5-16(6-8-17)11(18)13(14)3-9-20-10-4-13/h3-10,14H2,1-2H3
InChIKeyXUYSXYKTZLCTOE-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.68
Rot. Bonds1

About 4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide

4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 115294360) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID115294360
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)C2(N)CCOCC2)CC1
InChIInChI=1S/C13H24N4O3/c1-15(2)12(19)17-7-5-16(6-8-17)11(18)13(14)3-9-20-10-4-13/h3-10,14H2,1-2H3
InChIKeyXUYSXYKTZLCTOE-UHFFFAOYSA-N
XLogP-0.68
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 115293431
(4-aminooxan-4-yl)-piperazin-1-ylmethanone
CID 115293706
[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 115294224
4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 115294193
(4-aminooxan-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115294424
(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 115295112
4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 83266479
(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115976998
(4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113280783
(4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 115294891
(4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314010
4-(1-aminocyclopentanecarbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 60964289

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide (CID 115294360) is 4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)C2(N)CCOCC2)CC1.
What is the InChIKey of 4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is XUYSXYKTZLCTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-15(2)12(19)17-7-5-16(6-8-17)11(18)13(14)3-9-20-10-4-13/h3-10,14H2,1-2H3.
What are the key properties of 4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 115294360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).