N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide

C23H24FN5O3 — CID 110233860

IUPACN-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN5O3/c1-15(30)26-20(16-2-4-19(24)5-3-16)14-21(31)29-12-8-17(9-13-29)22-27-23(32-28-22)18-6-10-25-11-7-18/h2-7,10-11,17,20H,8-9,12-14H2,1H3,(H,26,30)
InChIKeyVRVXGEIBUSSHCS-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.24
Rot. Bonds6

About N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide

N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide (PubChem CID 110233860) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide
PubChem CID110233860
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC NameN-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN5O3/c1-15(30)26-20(16-2-4-19(24)5-3-16)14-21(31)29-12-8-17(9-13-29)22-27-23(32-28-22)18-6-10-25-11-7-18/h2-7,10-11,17,20H,8-9,12-14H2,1H3,(H,26,30)
InChIKeyVRVXGEIBUSSHCS-UHFFFAOYSA-N
XLogP3.24
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905648
2-(4-fluorophenoxy)-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 91905654
N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 110883945
(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270829
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
2-(4-fluorophenyl)sulfanyl-1-[3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 119102392
3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane
CID 143066868
N-[3-oxo-1-phenyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propyl]acetamide
CID 86989923
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 119546172
N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119560695
3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 91905580
5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136816004

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide (CID 110233860) is N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide is CC(=O)NC(CC(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide?
The InChIKey is VRVXGEIBUSSHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-15(30)26-20(16-2-4-19(24)5-3-16)14-21(31)29-12-8-17(9-13-29)22-27-23(32-28-22)18-6-10-25-11-7-18/h2-7,10-11,17,20H,8-9,12-14H2,1H3,(H,26,30).
What are the key properties of N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide?
N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide has a molecular weight of 437.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide is sourced from PubChem (CID 110233860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).