(2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C13H19ClN2O2 — CID 106686399

IUPAC(2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C13H19ClN2O2/c1-10(2)9-15-4-6-16(7-5-15)13(17)11-3-8-18-12(11)14/h3,8,10H,4-7,9H2,1-2H3
InChIKeyXRHFHFLIMLUWQI-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.35
Rot. Bonds3

About (2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 106686399) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID106686399
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C13H19ClN2O2/c1-10(2)9-15-4-6-16(7-5-15)13(17)11-3-8-18-12(11)14/h3,8,10H,4-7,9H2,1-2H3
InChIKeyXRHFHFLIMLUWQI-UHFFFAOYSA-N
XLogP2.35
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorofuran-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 106685702
(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 106686183
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
(2-chloro-5-methylsulfanylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 112765531
(2,3-dihydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114344301
(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014867
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 95312025
(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 106685645
(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 106686399) is (2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2ccoc2Cl)CC1.
What is the InChIKey of (2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is XRHFHFLIMLUWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-10(2)9-15-4-6-16(7-5-15)13(17)11-3-8-18-12(11)14/h3,8,10H,4-7,9H2,1-2H3.
What are the key properties of (2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 270.76 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 106686399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).