(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide

C18H21FN4O3 — CID 100765552

IUPAC(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
SMILESO=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC(c2n[nH]c(=O)o2)CC1
InChIInChI=1S/C18H21FN4O3/c19-13-3-1-11(2-4-13)15(16(24)20-14-5-6-14)23-9-7-12(8-10-23)17-21-22-18(25)26-17/h1-4,12,14-15H,5-10H2,(H,20,24)(H,22,25)/t15-/m1/s1
InChIKeyPCOSZPAWUBLCKZ-OAHLLOKOSA-N
MW360.39 g/mol
LogP1.70
Rot. Bonds5

About (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide

(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 100765552) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
PubChem CID100765552
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
SMILESO=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC(c2n[nH]c(=O)o2)CC1
InChIInChI=1S/C18H21FN4O3/c19-13-3-1-11(2-4-13)15(16(24)20-14-5-6-14)23-9-7-12(8-10-23)17-21-22-18(25)26-17/h1-4,12,14-15H,5-10H2,(H,20,24)(H,22,25)/t15-/m1/s1
InChIKeyPCOSZPAWUBLCKZ-OAHLLOKOSA-N
XLogP1.70
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide (CID 100765552) is (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide is O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC(c2n[nH]c(=O)o2)CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is PCOSZPAWUBLCKZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21FN4O3/c19-13-3-1-11(2-4-13)15(16(24)20-14-5-6-14)23-9-7-12(8-10-23)17-21-22-18(25)26-17/h1-4,12,14-15H,5-10H2,(H,20,24)(H,22,25)/t15-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 100765552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).