N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide

C17H21ClN4O4 — CID 125440838

About N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide

N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 125440838) has the molecular formula C17H21ClN4O4 and a molecular weight of 380.83 g/mol. Its IUPAC name is N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide
• PubChem CID: 125440838
• Molecular Formula: C17H21ClN4O4
• Molecular Weight: 380.83 g/mol
• Exact Mass: 380.13
• IUPAC Name: N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide
• SMILES: C[C@@H](NC(=O)N1CCC(O)(CO)CC1)c1nc(-c2ccc(Cl)cc2)no1
• InChI: InChI=1S/C17H21ClN4O4/c1-11(19-16(24)22-8-6-17(25,10-23)7-9-22)15-20-14(21-26-15)12-2-4-13(18)5-3-12/h2-5,11,23,25H,6-10H2,1H3,(H,19,24)/t11-/m1/s1
• InChIKey: LJDKXUMEQOZAMS-LLVKDONJSA-N
• XLogP: 1.98
• TPSA: 111.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.83
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide (CID 125440838) is N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide.

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

The canonical SMILES for N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide is C[C@@H](NC(=O)N1CCC(O)(CO)CC1)c1nc(-c2ccc(Cl)cc2)no1.

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

The InChIKey is LJDKXUMEQOZAMS-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21ClN4O4/c1-11(19-16(24)22-8-6-17(25,10-23)7-9-22)15-20-14(21-26-15)12-2-4-13(18)5-3-12/h2-5,11,23,25H,6-10H2,1H3,(H,19,24)/t11-/m1/s1.

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

N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 380.83 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125440838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).