2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone

C11H19N3O2 — CID 68733933

IUPAC2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C11H19N3O2/c12-8-10(15)13-4-6-14(7-5-13)11(16)9-2-1-3-9/h9H,1-8,12H2
InChIKeyOPELGYXTCHKDCC-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.58
Rot. Bonds2

About 2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone

2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone (PubChem CID 68733933) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone
PubChem CID68733933
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C11H19N3O2/c12-8-10(15)13-4-6-14(7-5-13)11(16)9-2-1-3-9/h9H,1-8,12H2
InChIKeyOPELGYXTCHKDCC-UHFFFAOYSA-N
XLogP-0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95557941
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 110665012
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butane-1,3-dione
CID 54876750
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 119876027
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone (CID 68733933) is 2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone is NCC(=O)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone?
The InChIKey is OPELGYXTCHKDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-8-10(15)13-4-6-14(7-5-13)11(16)9-2-1-3-9/h9H,1-8,12H2.
What are the key properties of 2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone?
2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone has a molecular weight of 225.29 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 68733933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).