2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C21H24N4O3S — CID 162506093

IUPAC2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(CN2CCCCC2)ccc1C(=O)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C21H24N4O3S/c1-27-17-12-15(14-25-9-3-2-4-10-25)7-8-16(17)20(26)22-13-19-23-24-21(28-19)18-6-5-11-29-18/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,22,26)
InChIKeyXHOMUUZFSVPLFW-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.72
Rot. Bonds7

About 2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 162506093) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID162506093
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(CN2CCCCC2)ccc1C(=O)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C21H24N4O3S/c1-27-17-12-15(14-25-9-3-2-4-10-25)7-8-16(17)20(26)22-13-19-23-24-21(28-19)18-6-5-11-29-18/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,22,26)
InChIKeyXHOMUUZFSVPLFW-UHFFFAOYSA-N
XLogP3.72
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 162506093) is 2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is COc1cc(CN2CCCCC2)ccc1C(=O)NCc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is XHOMUUZFSVPLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-27-17-12-15(14-25-9-3-2-4-10-25)7-8-16(17)20(26)22-13-19-23-24-21(28-19)18-6-5-11-29-18/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,22,26).
What are the key properties of 2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 412.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(piperidin-1-ylmethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 162506093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).