1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

C23H27N7O2 — CID 91909236

IUPAC1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C23H27N7O2/c24-22(31)23(30-11-5-2-6-12-30)9-13-29(14-10-23)20-18(15-25-16-26-20)21-27-19(28-32-21)17-7-3-1-4-8-17/h1,3-4,7-8,15-16H,2,5-6,9-14H2,(H2,24,31)
InChIKeyDRXGTERTWFRDLF-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.50
Rot. Bonds5

About 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 91909236) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID91909236
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C23H27N7O2/c24-22(31)23(30-11-5-2-6-12-30)9-13-29(14-10-23)20-18(15-25-16-26-20)21-27-19(28-32-21)17-7-3-1-4-8-17/h1,3-4,7-8,15-16H,2,5-6,9-14H2,(H2,24,31)
InChIKeyDRXGTERTWFRDLF-UHFFFAOYSA-N
XLogP2.50
TPSA114.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 91909236) is 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is DRXGTERTWFRDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c24-22(31)23(30-11-5-2-6-12-30)9-13-29(14-10-23)20-18(15-25-16-26-20)21-27-19(28-32-21)17-7-3-1-4-8-17/h1,3-4,7-8,15-16H,2,5-6,9-14H2,(H2,24,31).
What are the key properties of 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 91909236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).