(2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone

C15H24N2OS — CID 64978414

IUPAC(2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)N1CC(CC)NCC1CC
InChIInChI=1S/C15H24N2OS/c1-4-11-7-8-19-14(11)15(18)17-10-12(5-2)16-9-13(17)6-3/h7-8,12-13,16H,4-6,9-10H2,1-3H3
InChIKeyAWLGVLHYMIEDSO-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.91
Rot. Bonds4

About (2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone

(2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone (PubChem CID 64978414) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone
PubChem CID64978414
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)N1CC(CC)NCC1CC
InChIInChI=1S/C15H24N2OS/c1-4-11-7-8-19-14(11)15(18)17-10-12(5-2)16-9-13(17)6-3/h7-8,12-13,16H,4-6,9-10H2,1-3H3
InChIKeyAWLGVLHYMIEDSO-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone?
The IUPAC name of (2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone (CID 64978414) is (2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone.
What is the SMILES notation for (2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone?
The canonical SMILES for (2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone is CCc1ccsc1C(=O)N1CC(CC)NCC1CC.
What is the InChIKey of (2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone?
The InChIKey is AWLGVLHYMIEDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-11-7-8-19-14(11)15(18)17-10-12(5-2)16-9-13(17)6-3/h7-8,12-13,16H,4-6,9-10H2,1-3H3.
What are the key properties of (2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone?
(2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone has a molecular weight of 280.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 64978414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).