1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide

C20H25ClN4O3 — CID 24793323

IUPAC1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1nc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C20H25ClN4O3/c1-13(2)20-23-17(24-28-20)11-22-19(27)15-5-8-18(26)25(12-15)10-9-14-3-6-16(21)7-4-14/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,22,27)
InChIKeyIRJWGPJDOCYKGE-UHFFFAOYSA-N
MW404.90 g/mol
LogP2.94
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 24793323) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID24793323
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1nc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C20H25ClN4O3/c1-13(2)20-23-17(24-28-20)11-22-19(27)15-5-8-18(26)25(12-15)10-9-14-3-6-16(21)7-4-14/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,22,27)
InChIKeyIRJWGPJDOCYKGE-UHFFFAOYSA-N
XLogP2.94
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide (CID 24793323) is 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide is CC(C)c1nc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)no1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is IRJWGPJDOCYKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3/c1-13(2)20-23-17(24-28-20)11-22-19(27)15-5-8-18(26)25(12-15)10-9-14-3-6-16(21)7-4-14/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,22,27).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24793323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).