1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C22H30N6O3 — CID 26392970

IUPAC1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1nonc1CC(=O)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1
InChIInChI=1S/C22H30N6O3/c1-16-20(26-31-25-16)14-21(29)28-12-7-19(8-13-28)27-10-5-17(6-11-27)22(30)24-15-18-4-2-3-9-23-18/h2-4,9,17,19H,5-8,10-15H2,1H3,(H,24,30)
InChIKeyRJKPKALQEDJVKP-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.33
Rot. Bonds6

About 1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 26392970) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID26392970
Molecular FormulaC22H30N6O3
Molecular Weight426.52 g/mol
Exact Mass426.24
IUPAC Name1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1nonc1CC(=O)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1
InChIInChI=1S/C22H30N6O3/c1-16-20(26-31-25-16)14-21(29)28-12-7-19(8-13-28)27-10-5-17(6-11-27)22(30)24-15-18-4-2-3-9-23-18/h2-4,9,17,19H,5-8,10-15H2,1H3,(H,24,30)
InChIKeyRJKPKALQEDJVKP-UHFFFAOYSA-N
XLogP1.33
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 26392970) is 1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is Cc1nonc1CC(=O)N1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1.
What is the InChIKey of 1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is RJKPKALQEDJVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O3/c1-16-20(26-31-25-16)14-21(29)28-12-7-19(8-13-28)27-10-5-17(6-11-27)22(30)24-15-18-4-2-3-9-23-18/h2-4,9,17,19H,5-8,10-15H2,1H3,(H,24,30).
What are the key properties of 1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 26392970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).