1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]piperidine-4-carboxamide

C19H24ClN5O2 — CID 169189204

About 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]piperidine-4-carboxamide

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 169189204) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 169189204
• Molecular Formula: C19H24ClN5O2
• Molecular Weight: 389.89 g/mol
• Exact Mass: 389.16
• IUPAC Name: 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
• SMILES: O=C(NC[C@@H]1CCNC1)C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1
• InChI: InChI=1S/C19H24ClN5O2/c20-16-3-1-14(2-4-16)17-23-19(27-24-17)25-9-6-15(7-10-25)18(26)22-12-13-5-8-21-11-13/h1-4,13,15,21H,5-12H2,(H,22,26)/t13-/m1/s1
• InChIKey: FTHWFSPENPVWAI-CYBMUJFWSA-N
• XLogP: 2.33
• TPSA: 83.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.89
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]piperidine-4-carboxamide (CID 169189204) is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]piperidine-4-carboxamide is O=C(NC[C@@H]1CCNC1)C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1.

What is the InChIKey of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?

The InChIKey is FTHWFSPENPVWAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c20-16-3-1-14(2-4-16)17-23-19(27-24-17)25-9-6-15(7-10-25)18(26)22-12-13-5-8-21-11-13/h1-4,13,15,21H,5-12H2,(H,22,26)/t13-/m1/s1.

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

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 389.89 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 169189204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).