2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone

C15H22N2OS — CID 61445237

IUPAC2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN2CCN(C3CC3)CC2)s1
InChIInChI=1S/C15H22N2OS/c1-2-13-5-6-15(19-13)14(18)11-16-7-9-17(10-8-16)12-3-4-12/h5-6,12H,2-4,7-11H2,1H3
InChIKeyDWXWWBVOZXFLNT-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.27
Rot. Bonds5

About 2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone

2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 61445237) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID61445237
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN2CCN(C3CC3)CC2)s1
InChIInChI=1S/C15H22N2OS/c1-2-13-5-6-15(19-13)14(18)11-16-7-9-17(10-8-16)12-3-4-12/h5-6,12H,2-4,7-11H2,1H3
InChIKeyDWXWWBVOZXFLNT-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone (CID 61445237) is 2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CN2CCN(C3CC3)CC2)s1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is DWXWWBVOZXFLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-13-5-6-15(19-13)14(18)11-16-7-9-17(10-8-16)12-3-4-12/h5-6,12H,2-4,7-11H2,1H3.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone?
2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 278.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 61445237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).