(4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

C13H25N3O2 — CID 113280783

IUPAC(4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2(N)CCOCC2)CC1C
InChIInChI=1S/C13H25N3O2/c1-3-15-6-7-16(10-11(15)2)12(17)13(14)4-8-18-9-5-13/h11H,3-10,14H2,1-2H3
InChIKeyRGFHAUWPIIFZFZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.05
Rot. Bonds2

About (4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

(4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (PubChem CID 113280783) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
PubChem CID113280783
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2(N)CCOCC2)CC1C
InChIInChI=1S/C13H25N3O2/c1-3-15-6-7-16(10-11(15)2)12(17)13(14)4-8-18-9-5-13/h11H,3-10,14H2,1-2H3
InChIKeyRGFHAUWPIIFZFZ-UHFFFAOYSA-N
XLogP0.05
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 115295112
(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115976998
(4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 115294891
(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 115293431
(4-aminooxan-4-yl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 115295111
4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 115294193
1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
CID 115294492
(4-aminooxan-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115294424
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 114829252
4-amino-1-(4-ethyl-3-methylpiperazin-1-yl)butan-1-one
CID 63634215
4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115294360
2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 64590973

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (CID 113280783) is (4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2(N)CCOCC2)CC1C.
What is the InChIKey of (4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The InChIKey is RGFHAUWPIIFZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-15-6-7-16(10-11(15)2)12(17)13(14)4-8-18-9-5-13/h11H,3-10,14H2,1-2H3.
What are the key properties of (4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
(4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 113280783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).