1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide

C20H27N5O3 — CID 156584981

IUPAC1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide
SMILESCC(C)c1ccc(-c2nnc(NC(=O)C3CCN(C(=O)N(C)C)CC3)o2)cc1
InChIInChI=1S/C20H27N5O3/c1-13(2)14-5-7-16(8-6-14)18-22-23-19(28-18)21-17(26)15-9-11-25(12-10-15)20(27)24(3)4/h5-8,13,15H,9-12H2,1-4H3,(H,21,23,26)
InChIKeyFRIHAWATRONJPZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.19
Rot. Bonds4

About 1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide

1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide (PubChem CID 156584981) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide
PubChem CID156584981
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide
SMILESCC(C)c1ccc(-c2nnc(NC(=O)C3CCN(C(=O)N(C)C)CC3)o2)cc1
InChIInChI=1S/C20H27N5O3/c1-13(2)14-5-7-16(8-6-14)18-22-23-19(28-18)21-17(26)15-9-11-25(12-10-15)20(27)24(3)4/h5-8,13,15H,9-12H2,1-4H3,(H,21,23,26)
InChIKeyFRIHAWATRONJPZ-UHFFFAOYSA-N
XLogP3.19
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide (CID 156584981) is 1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide is CC(C)c1ccc(-c2nnc(NC(=O)C3CCN(C(=O)N(C)C)CC3)o2)cc1.
What is the InChIKey of 1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide?
The InChIKey is FRIHAWATRONJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-13(2)14-5-7-16(8-6-14)18-22-23-19(28-18)21-17(26)15-9-11-25(12-10-15)20(27)24(3)4/h5-8,13,15H,9-12H2,1-4H3,(H,21,23,26).
What are the key properties of 1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide?
1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 156584981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).