[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone

C15H21N3O3S — CID 119745413

IUPAC[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CNCCO3)CC2)s1
InChIInChI=1S/C15H21N3O3S/c1-11-2-3-13(22-11)15(20)18-7-5-17(6-8-18)14(19)12-10-16-4-9-21-12/h2-3,12,16H,4-10H2,1H3
InChIKeyMHPSABVSJKNHEL-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.33
Rot. Bonds2

About [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone

[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone (PubChem CID 119745413) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone
PubChem CID119745413
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CNCCO3)CC2)s1
InChIInChI=1S/C15H21N3O3S/c1-11-2-3-13(22-11)15(20)18-7-5-17(6-8-18)14(19)12-10-16-4-9-21-12/h2-3,12,16H,4-10H2,1H3
InChIKeyMHPSABVSJKNHEL-UHFFFAOYSA-N
XLogP0.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone (CID 119745413) is [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone is Cc1ccc(C(=O)N2CCN(C(=O)C3CNCCO3)CC2)s1.
What is the InChIKey of [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is MHPSABVSJKNHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-11-2-3-13(22-11)15(20)18-7-5-17(6-8-18)14(19)12-10-16-4-9-21-12/h2-3,12,16H,4-10H2,1H3.
What are the key properties of [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone?
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 323.42 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 119745413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).