[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone

C14H23N3O3 — CID 115294224

IUPAC[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESNC1(C(=O)N2CCN(C(=O)C3CC3)CC2)CCOCC1
InChIInChI=1S/C14H23N3O3/c15-14(3-9-20-10-4-14)13(19)17-7-5-16(6-8-17)12(18)11-1-2-11/h11H,1-10,15H2
InChIKeyNPQKNOIFXLYQKL-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.42
Rot. Bonds2

About [4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone

[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 115294224) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID115294224
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESNC1(C(=O)N2CCN(C(=O)C3CC3)CC2)CCOCC1
InChIInChI=1S/C14H23N3O3/c15-14(3-9-20-10-4-14)13(19)17-7-5-16(6-8-17)12(18)11-1-2-11/h11H,1-10,15H2
InChIKeyNPQKNOIFXLYQKL-UHFFFAOYSA-N
XLogP-0.42
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.42
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-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone
CID 119307245
(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
1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
CID 115294492
(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115976998
1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid
CID 64891574
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 115295112
4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 115294193
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone (CID 115294224) is [4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone is NC1(C(=O)N2CCN(C(=O)C3CC3)CC2)CCOCC1.
What is the InChIKey of [4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is NPQKNOIFXLYQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c15-14(3-9-20-10-4-14)13(19)17-7-5-16(6-8-17)12(18)11-1-2-11/h11H,1-10,15H2.
What are the key properties of [4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 281.36 g/mol, XLogP of -0.42, 2 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)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 115294224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).