2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one

C15H25N3O2 — CID 79810335

IUPAC2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
SMILESCCC(N)(CC)C(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H25N3O2/c1-3-15(16,4-2)14(19)18-9-7-17(8-10-18)12-13-6-5-11-20-13/h5-6,11H,3-4,7-10,12,16H2,1-2H3
InChIKeyMIAIADCGDLUDOU-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.44
Rot. Bonds5

About 2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one

2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one (PubChem CID 79810335) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
PubChem CID79810335
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
SMILESCCC(N)(CC)C(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H25N3O2/c1-3-15(16,4-2)14(19)18-9-7-17(8-10-18)12-13-6-5-11-20-13/h5-6,11H,3-4,7-10,12,16H2,1-2H3
InChIKeyMIAIADCGDLUDOU-UHFFFAOYSA-N
XLogP1.44
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione
CID 75394752
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
(E)-4-[4-(furan-2-ylmethyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 54874934
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695
2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60939107
(3-bromo-5-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46471336
(4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 17249343
(1-ethylpyrazol-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19279222
(2S)-2-amino-1-[4-(furan-2-ylmethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 61165609

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one (CID 79810335) is 2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one is CCC(N)(CC)C(=O)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one?
The InChIKey is MIAIADCGDLUDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-15(16,4-2)14(19)18-9-7-17(8-10-18)12-13-6-5-11-20-13/h5-6,11H,3-4,7-10,12,16H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one?
2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one has a molecular weight of 279.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 79810335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).