N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide

C25H30FN5O2 — CID 14426249

IUPACN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2nnc(CC)o2)CCN(CCc2ccccn2)CC1
InChIInChI=1S/C25H30FN5O2/c1-3-22-28-29-24(33-22)25(31(23(32)4-2)21-11-6-5-10-20(21)26)13-17-30(18-14-25)16-12-19-9-7-8-15-27-19/h5-11,15H,3-4,12-14,16-18H2,1-2H3
InChIKeyRZRKXTOFZOZBGX-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.14
Rot. Bonds8

About N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide

N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 14426249) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide
PubChem CID14426249
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC NameN-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2nnc(CC)o2)CCN(CCc2ccccn2)CC1
InChIInChI=1S/C25H30FN5O2/c1-3-22-28-29-24(33-22)25(31(23(32)4-2)21-11-6-5-10-20(21)26)13-17-30(18-14-25)16-12-19-9-7-8-15-27-19/h5-11,15H,3-4,12-14,16-18H2,1-2H3
InChIKeyRZRKXTOFZOZBGX-UHFFFAOYSA-N
XLogP4.14
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide (CID 14426249) is N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide is CCC(=O)N(c1ccccc1F)C1(c2nnc(CC)o2)CCN(CCc2ccccn2)CC1.
What is the InChIKey of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is RZRKXTOFZOZBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-3-22-28-29-24(33-22)25(31(23(32)4-2)21-11-6-5-10-20(21)26)13-17-30(18-14-25)16-12-19-9-7-8-15-27-19/h5-11,15H,3-4,12-14,16-18H2,1-2H3.
What are the key properties of N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide?
N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 451.55 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 14426249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).