1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide

C26H31ClN6O2 — CID 53032140

About 1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide

1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 53032140) has the molecular formula C26H31ClN6O2 and a molecular weight of 495.03 g/mol. Its IUPAC name is 1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
• PubChem CID: 53032140
• Molecular Formula: C26H31ClN6O2
• Molecular Weight: 495.03 g/mol
• Exact Mass: 494.22
• IUPAC Name: 1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
• SMILES: O=C(NCCN1CCCCC1)C1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1
• InChI: InChI=1S/C26H31ClN6O2/c27-21-7-4-6-20(18-21)23-30-26(35-31-23)22-8-5-11-28-24(22)33-15-9-19(10-16-33)25(34)29-12-17-32-13-2-1-3-14-32/h4-8,11,18-19H,1-3,9-10,12-17H2,(H,29,34)
• InChIKey: XIKGODILNJHYAO-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.03
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?

The IUPAC name of 1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide (CID 53032140) is 1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide is O=C(NCCN1CCCCC1)C1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.

What is the InChIKey of 1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?

The InChIKey is XIKGODILNJHYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN6O2/c27-21-7-4-6-20(18-21)23-30-26(35-31-23)22-8-5-11-28-24(22)33-15-9-19(10-16-33)25(34)29-12-17-32-13-2-1-3-14-32/h4-8,11,18-19H,1-3,9-10,12-17H2,(H,29,34).

What are the key properties of 1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?

1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 495.03 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53032140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).