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

C18H23FN4O2 — CID 124852349

IUPACN-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C18H23FN4O2/c1-13-16(22-25-21-13)11-18(24)20-12-17(23-9-3-2-4-10-23)14-5-7-15(19)8-6-14/h5-8,17H,2-4,9-12H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyUQNARLWMJYHBLZ-KRWDZBQOSA-N
MW346.41 g/mol
LogP2.40
Rot. Bonds6

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

N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 124852349) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID124852349
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C18H23FN4O2/c1-13-16(22-25-21-13)11-18(24)20-12-17(23-9-3-2-4-10-23)14-5-7-15(19)8-6-14/h5-8,17H,2-4,9-12H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyUQNARLWMJYHBLZ-KRWDZBQOSA-N
XLogP2.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 124852349) is N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is UQNARLWMJYHBLZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13-16(22-25-21-13)11-18(24)20-12-17(23-9-3-2-4-10-23)14-5-7-15(19)8-6-14/h5-8,17H,2-4,9-12H2,1H3,(H,20,24)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 124852349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).