(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C13H19ClN2OS — CID 134014867

IUPAC(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H19ClN2OS/c1-10(2)9-15-5-7-16(8-6-15)13(17)11-3-4-12(14)18-11/h3-4,10H,5-9H2,1-2H3
InChIKeyHBONRJAQQJIECT-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.82
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 134014867) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID134014867
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H19ClN2OS/c1-10(2)9-15-5-7-16(8-6-15)13(17)11-3-4-12(14)18-11/h3-4,10H,5-9H2,1-2H3
InChIKeyHBONRJAQQJIECT-UHFFFAOYSA-N
XLogP2.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 134014867) is (5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is HBONRJAQQJIECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-10(2)9-15-5-7-16(8-6-15)13(17)11-3-4-12(14)18-11/h3-4,10H,5-9H2,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 286.83 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 134014867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).