(4-aminooxan-4-yl)-piperazin-1-ylmethanone

C10H19N3O2 — CID 115293706

IUPAC(4-aminooxan-4-yl)-piperazin-1-ylmethanone
SMILESNC1(C(=O)N2CCNCC2)CCOCC1
InChIInChI=1S/C10H19N3O2/c11-10(1-7-15-8-2-10)9(14)13-5-3-12-4-6-13/h12H,1-8,11H2
InChIKeyATYUTCAOUOGVLO-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.07
Rot. Bonds1

About (4-aminooxan-4-yl)-piperazin-1-ylmethanone

(4-aminooxan-4-yl)-piperazin-1-ylmethanone (PubChem CID 115293706) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-piperazin-1-ylmethanone
PubChem CID115293706
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(4-aminooxan-4-yl)-piperazin-1-ylmethanone
SMILESNC1(C(=O)N2CCNCC2)CCOCC1
InChIInChI=1S/C10H19N3O2/c11-10(1-7-15-8-2-10)9(14)13-5-3-12-4-6-13/h12H,1-8,11H2
InChIKeyATYUTCAOUOGVLO-UHFFFAOYSA-N
XLogP-1.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopentyl)-piperazin-1-ylmethanone
CID 60868287
(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 115293431
4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115294360
[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)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 115295112
(4-aminooxan-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115294424
(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115976998
1-morpholin-4-yl-2-piperazin-1-ylethane-1,2-dione
CID 7131953
(4-aminooxan-4-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314010
1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
CID 115294492
(3-aminooxolan-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 64891679

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (4-aminooxan-4-yl)-piperazin-1-ylmethanone (CID 115293706) is (4-aminooxan-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-aminooxan-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-aminooxan-4-yl)-piperazin-1-ylmethanone is NC1(C(=O)N2CCNCC2)CCOCC1.
What is the InChIKey of (4-aminooxan-4-yl)-piperazin-1-ylmethanone?
The InChIKey is ATYUTCAOUOGVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-10(1-7-15-8-2-10)9(14)13-5-3-12-4-6-13/h12H,1-8,11H2.
What are the key properties of (4-aminooxan-4-yl)-piperazin-1-ylmethanone?
(4-aminooxan-4-yl)-piperazin-1-ylmethanone has a molecular weight of 213.28 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 115293706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).