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

C19H23ClN4O3 — CID 24793798

IUPAC1-[(4-chlorophenyl)methyl]-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(Cc3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C19H23ClN4O3/c1-12(2)19-22-16(23-27-19)9-21-18(26)14-5-8-17(25)24(11-14)10-13-3-6-15(20)7-4-13/h3-4,6-7,12,14H,5,8-11H2,1-2H3,(H,21,26)
InChIKeyDACIOYFJHNFNHX-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.90
Rot. Bonds6

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

1-[(4-chlorophenyl)methyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 24793798) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID24793798
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name1-[(4-chlorophenyl)methyl]-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(Cc3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C19H23ClN4O3/c1-12(2)19-22-16(23-27-19)9-21-18(26)14-5-8-17(25)24(11-14)10-13-3-6-15(20)7-4-13/h3-4,6-7,12,14H,5,8-11H2,1-2H3,(H,21,26)
InChIKeyDACIOYFJHNFNHX-UHFFFAOYSA-N
XLogP2.90
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide (CID 24793798) is 1-[(4-chlorophenyl)methyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-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(Cc3ccc(Cl)cc3)C2)no1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is DACIOYFJHNFNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-12(2)19-22-16(23-27-19)9-21-18(26)14-5-8-17(25)24(11-14)10-13-3-6-15(20)7-4-13/h3-4,6-7,12,14H,5,8-11H2,1-2H3,(H,21,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24793798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).