(2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone

C11H15ClN2O2 — CID 106683666

IUPAC(2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Cl)C(C)CN1
InChIInChI=1S/C11H15ClN2O2/c1-7-6-14(8(2)5-13-7)11(15)9-3-4-16-10(9)12/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyCRFIZWMBCUWZOI-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.76
Rot. Bonds1

About (2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone

(2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone (PubChem CID 106683666) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone
PubChem CID106683666
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Cl)C(C)CN1
InChIInChI=1S/C11H15ClN2O2/c1-7-6-14(8(2)5-13-7)11(15)9-3-4-16-10(9)12/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyCRFIZWMBCUWZOI-UHFFFAOYSA-N
XLogP1.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
(5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979323
(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980085
(2-chlorofuran-3-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 107388653
(2-chlorofuran-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 106687354
(2,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone
CID 64979365
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone
CID 106688551
(4-chloro-1H-pyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979359
(2,5-dimethylpiperazin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 113363045
(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 107702962
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone (CID 106683666) is (2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccoc2Cl)C(C)CN1.
What is the InChIKey of (2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is CRFIZWMBCUWZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7-6-14(8(2)5-13-7)11(15)9-3-4-16-10(9)12/h3-4,7-8,13H,5-6H2,1-2H3.
What are the key properties of (2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone?
(2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 242.71 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 106683666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).