N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide

C22H26F2N4O3 — CID 126466310

IUPACN-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
SMILESCc1nonc1C(=O)N1CCC(C(Cc2ccc(F)cc2F)N(C)C(=O)C2CC2)CC1
InChIInChI=1S/C22H26F2N4O3/c1-13-20(26-31-25-13)22(30)28-9-7-14(8-10-28)19(27(2)21(29)15-3-4-15)11-16-5-6-17(23)12-18(16)24/h5-6,12,14-15,19H,3-4,7-11H2,1-2H3
InChIKeySSPYXQOGMOBBAX-UHFFFAOYSA-N
MW432.47 g/mol
LogP2.99
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide

N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide (PubChem CID 126466310) has the molecular formula C22H26F2N4O3 and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
PubChem CID126466310
Molecular FormulaC22H26F2N4O3
Molecular Weight432.47 g/mol
Exact Mass432.20
IUPAC NameN-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
SMILESCc1nonc1C(=O)N1CCC(C(Cc2ccc(F)cc2F)N(C)C(=O)C2CC2)CC1
InChIInChI=1S/C22H26F2N4O3/c1-13-20(26-31-25-13)22(30)28-9-7-14(8-10-28)19(27(2)21(29)15-3-4-15)11-16-5-6-17(23)12-18(16)24/h5-6,12,14-15,19H,3-4,7-11H2,1-2H3
InChIKeySSPYXQOGMOBBAX-UHFFFAOYSA-N
XLogP2.99
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide (CID 126466310) is N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide is Cc1nonc1C(=O)N1CCC(C(Cc2ccc(F)cc2F)N(C)C(=O)C2CC2)CC1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide?
The InChIKey is SSPYXQOGMOBBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O3/c1-13-20(26-31-25-13)22(30)28-9-7-14(8-10-28)19(27(2)21(29)15-3-4-15)11-16-5-6-17(23)12-18(16)24/h5-6,12,14-15,19H,3-4,7-11H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide?
N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide has a molecular weight of 432.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 126466310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).