(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone

C10H13ClN2O2 — CID 106683662

IUPAC(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Cl)CCN1
InChIInChI=1S/C10H13ClN2O2/c1-7-6-13(4-3-12-7)10(14)8-2-5-15-9(8)11/h2,5,7,12H,3-4,6H2,1H3
InChIKeyBIJHFIXBZPSCOG-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.37
Rot. Bonds1

About (2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone

(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 106683662) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
PubChem CID106683662
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Cl)CCN1
InChIInChI=1S/C10H13ClN2O2/c1-7-6-13(4-3-12-7)10(14)8-2-5-15-9(8)11/h2,5,7,12H,3-4,6H2,1H3
InChIKeyBIJHFIXBZPSCOG-UHFFFAOYSA-N
XLogP1.37
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
(2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 106683666
(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106690201
(2-chlorofuran-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 106687354
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
(2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 103806964
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953
(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106689942

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone (CID 106683662) is (2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccoc2Cl)CCN1.
What is the InChIKey of (2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is BIJHFIXBZPSCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7-6-13(4-3-12-7)10(14)8-2-5-15-9(8)11/h2,5,7,12H,3-4,6H2,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone?
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 228.68 g/mol, XLogP of 1.37, 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)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 106683662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).