1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide

C18H22FN5O3 — CID 56724152

IUPAC1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN5O3/c1-12-22-16(27-23-12)11-20-17(25)14-6-8-24(9-7-14)18(26)21-10-13-2-4-15(19)5-3-13/h2-5,14H,6-11H2,1H3,(H,20,25)(H,21,26)
InChIKeyIJUYCJHJSMAANT-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.76
Rot. Bonds5

About 1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide

1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 56724152) has the molecular formula C18H22FN5O3 and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
PubChem CID56724152
Molecular FormulaC18H22FN5O3
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC Name1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN5O3/c1-12-22-16(27-23-12)11-20-17(25)14-6-8-24(9-7-14)18(26)21-10-13-2-4-15(19)5-3-13/h2-5,14H,6-11H2,1H3,(H,20,25)(H,21,26)
InChIKeyIJUYCJHJSMAANT-UHFFFAOYSA-N
XLogP1.76
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide (CID 56724152) is 1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide is Cc1noc(CNC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is IJUYCJHJSMAANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O3/c1-12-22-16(27-23-12)11-20-17(25)14-6-8-24(9-7-14)18(26)21-10-13-2-4-15(19)5-3-13/h2-5,14H,6-11H2,1H3,(H,20,25)(H,21,26).
What are the key properties of 1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide?
1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 375.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-fluorophenyl)methyl]-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56724152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).