methyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate

C15H18N2O4S — CID 126815751

IUPACmethyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(C(=O)C3CC(=O)C3)CC2)s1
InChIInChI=1S/C15H18N2O4S/c1-21-15(20)12-2-3-13(22-12)16-4-6-17(7-5-16)14(19)10-8-11(18)9-10/h2-3,10H,4-9H2,1H3
InChIKeyOFNZXKZIWJLEJR-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.16
Rot. Bonds3

About methyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate

methyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate (PubChem CID 126815751) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is methyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate
PubChem CID126815751
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Namemethyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(C(=O)C3CC(=O)C3)CC2)s1
InChIInChI=1S/C15H18N2O4S/c1-21-15(20)12-2-3-13(22-12)16-4-6-17(7-5-16)14(19)10-8-11(18)9-10/h2-3,10H,4-9H2,1H3
InChIKeyOFNZXKZIWJLEJR-UHFFFAOYSA-N
XLogP1.16
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate (CID 126815751) is methyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate is COC(=O)c1ccc(N2CCN(C(=O)C3CC(=O)C3)CC2)s1.
What is the InChIKey of methyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate?
The InChIKey is OFNZXKZIWJLEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-21-15(20)12-2-3-13(22-12)16-4-6-17(7-5-16)14(19)10-8-11(18)9-10/h2-3,10H,4-9H2,1H3.
What are the key properties of methyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate?
methyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(3-oxocyclobutanecarbonyl)piperazin-1-yl]thiophene-2-carboxylate is sourced from PubChem (CID 126815751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).