(5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone

C11H15ClN2O2 — CID 103725307

IUPAC(5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)o2)CCN1C
InChIInChI=1S/C11H15ClN2O2/c1-8-7-14(6-5-13(8)2)11(15)9-3-4-10(12)16-9/h3-4,8H,5-7H2,1-2H3
InChIKeyJXSQXABMBRIPLW-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.71
Rot. Bonds1

About (5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone

(5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone (PubChem CID 103725307) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
PubChem CID103725307
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)o2)CCN1C
InChIInChI=1S/C11H15ClN2O2/c1-8-7-14(6-5-13(8)2)11(15)9-3-4-10(12)16-9/h3-4,8H,5-7H2,1-2H3
InChIKeyJXSQXABMBRIPLW-UHFFFAOYSA-N
XLogP1.71
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
CID 106689868
(3-bromo-4-methylpiperidin-1-yl)-(5-chlorofuran-2-yl)methanone
CID 106690241
(5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492575
(4-bromo-3-chlorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 81049506
(5-chlorofuran-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934136
methyl (3S)-1-(5-chlorofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919544
(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662274
[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 112811867
(5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 106690235
(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95319796
3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81046996
1-[4-(5-chlorofuran-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 87030559

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone (CID 103725307) is (5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc(Cl)o2)CCN1C.
What is the InChIKey of (5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is JXSQXABMBRIPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8-7-14(6-5-13(8)2)11(15)9-3-4-10(12)16-9/h3-4,8H,5-7H2,1-2H3.
What are the key properties of (5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
(5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 242.71 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 103725307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).