N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

C15H18N4O3S — CID 136578753

IUPACN-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1noc(C2CCCN(C(=O)CNC(=O)c3cccs3)C2)n1
InChIInChI=1S/C15H18N4O3S/c1-10-17-15(22-18-10)11-4-2-6-19(9-11)13(20)8-16-14(21)12-5-3-7-23-12/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,16,21)
InChIKeyKNOGSLYFLRDYHM-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.58
Rot. Bonds4

About N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 136578753) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID136578753
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1noc(C2CCCN(C(=O)CNC(=O)c3cccs3)C2)n1
InChIInChI=1S/C15H18N4O3S/c1-10-17-15(22-18-10)11-4-2-6-19(9-11)13(20)8-16-14(21)12-5-3-7-23-12/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,16,21)
InChIKeyKNOGSLYFLRDYHM-UHFFFAOYSA-N
XLogP1.58
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 136578753) is N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is Cc1noc(C2CCCN(C(=O)CNC(=O)c3cccs3)C2)n1.
What is the InChIKey of N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is KNOGSLYFLRDYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10-17-15(22-18-10)11-4-2-6-19(9-11)13(20)8-16-14(21)12-5-3-7-23-12/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,16,21).
What are the key properties of N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 136578753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).