4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide

C20H22N4O2S — CID 91668291

IUPAC4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCC(c2nc(Cc3ccccc3)no2)CC1
InChIInChI=1S/C20H22N4O2S/c25-20(21-13-16-8-11-27-14-16)24-9-6-17(7-10-24)19-22-18(23-26-19)12-15-4-2-1-3-5-15/h1-5,8,11,14,17H,6-7,9-10,12-13H2,(H,21,25)
InChIKeyDNTSBEZJDSFUCB-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.81
Rot. Bonds5

About 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide

4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 91668291) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
PubChem CID91668291
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCC(c2nc(Cc3ccccc3)no2)CC1
InChIInChI=1S/C20H22N4O2S/c25-20(21-13-16-8-11-27-14-16)24-9-6-17(7-10-24)19-22-18(23-26-19)12-15-4-2-1-3-5-15/h1-5,8,11,14,17H,6-7,9-10,12-13H2,(H,21,25)
InChIKeyDNTSBEZJDSFUCB-UHFFFAOYSA-N
XLogP3.81
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide (CID 91668291) is 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide is O=C(NCc1ccsc1)N1CCC(c2nc(Cc3ccccc3)no2)CC1.
What is the InChIKey of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is DNTSBEZJDSFUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-20(21-13-16-8-11-27-14-16)24-9-6-17(7-10-24)19-22-18(23-26-19)12-15-4-2-1-3-5-15/h1-5,8,11,14,17H,6-7,9-10,12-13H2,(H,21,25).
What are the key properties of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide?
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 91668291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).