2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one

C13H20N2O2 — CID 116924134

IUPAC2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)C(C)(C)N2CCNCC2)o1
InChIInChI=1S/C13H20N2O2/c1-10-4-5-11(17-10)12(16)13(2,3)15-8-6-14-7-9-15/h4-5,14H,6-9H2,1-3H3
InChIKeyJPXIFQOORSIFCZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.45
Rot. Bonds3

About 2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one

2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one (PubChem CID 116924134) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one
PubChem CID116924134
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)C(C)(C)N2CCNCC2)o1
InChIInChI=1S/C13H20N2O2/c1-10-4-5-11(17-10)12(16)13(2,3)15-8-6-14-7-9-15/h4-5,14H,6-9H2,1-3H3
InChIKeyJPXIFQOORSIFCZ-UHFFFAOYSA-N
XLogP1.45
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704923
5-[[(2-methyl-2-piperazin-1-ylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 80550567
1-(cyclohepten-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 106655601
1-(5-bromothiophen-2-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116924126
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599252
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 106883114
ethyl 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoate
CID 114832094
5-methyl-N-(5-piperazin-1-yl-2-pyridinyl)furan-2-carboxamide
CID 119494477
N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80547263
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599190
(5-methylfuran-2-yl)-piperidin-3-ylmethanone
CID 116916948
3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one
CID 116915783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one (CID 116924134) is 2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one is Cc1ccc(C(=O)C(C)(C)N2CCNCC2)o1.
What is the InChIKey of 2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is JPXIFQOORSIFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-4-5-11(17-10)12(16)13(2,3)15-8-6-14-7-9-15/h4-5,14H,6-9H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one?
2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 236.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylfuran-2-yl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 116924134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).