N-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide

C22H26N6O3 — CID 110085755

IUPACN-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide
SMILESCc1nnc(-c2ccc(C(=O)N3CCCC(CC(=O)NCCn4ccnc4)C3)cc2)o1
InChIInChI=1S/C22H26N6O3/c1-16-25-26-21(31-16)18-4-6-19(7-5-18)22(30)28-10-2-3-17(14-28)13-20(29)24-9-12-27-11-8-23-15-27/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3,(H,24,29)
InChIKeyOGRWKRZVPIIECC-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.30
Rot. Bonds7

About N-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide

N-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide (PubChem CID 110085755) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide
PubChem CID110085755
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide
SMILESCc1nnc(-c2ccc(C(=O)N3CCCC(CC(=O)NCCn4ccnc4)C3)cc2)o1
InChIInChI=1S/C22H26N6O3/c1-16-25-26-21(31-16)18-4-6-19(7-5-18)22(30)28-10-2-3-17(14-28)13-20(29)24-9-12-27-11-8-23-15-27/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3,(H,24,29)
InChIKeyOGRWKRZVPIIECC-UHFFFAOYSA-N
XLogP2.30
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide (CID 110085755) is N-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide is Cc1nnc(-c2ccc(C(=O)N3CCCC(CC(=O)NCCn4ccnc4)C3)cc2)o1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide?
The InChIKey is OGRWKRZVPIIECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-16-25-26-21(31-16)18-4-6-19(7-5-18)22(30)28-10-2-3-17(14-28)13-20(29)24-9-12-27-11-8-23-15-27/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3,(H,24,29).
What are the key properties of N-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide?
N-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide has a molecular weight of 422.49 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 110085755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).