N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C18H21F3N4O2 — CID 71230957

IUPACN-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@H](CN1CCCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H21F3N4O2/c1-12(11-25-9-3-2-4-10-25)22-16(26)14-7-5-13(6-8-14)15-23-17(27-24-15)18(19,20)21/h5-8,12H,2-4,9-11H2,1H3,(H,22,26)/t12-/m1/s1
InChIKeyWTZFUFARAWDPGC-GFCCVEGCSA-N
MW382.39 g/mol
LogP3.36
Rot. Bonds5

About N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71230957) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71230957
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC NameN-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@H](CN1CCCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H21F3N4O2/c1-12(11-25-9-3-2-4-10-25)22-16(26)14-7-5-13(6-8-14)15-23-17(27-24-15)18(19,20)21/h5-8,12H,2-4,9-11H2,1H3,(H,22,26)/t12-/m1/s1
InChIKeyWTZFUFARAWDPGC-GFCCVEGCSA-N
XLogP3.36
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71230957) is N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is C[C@H](CN1CCCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is WTZFUFARAWDPGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-12(11-25-9-3-2-4-10-25)22-16(26)14-7-5-13(6-8-14)15-23-17(27-24-15)18(19,20)21/h5-8,12H,2-4,9-11H2,1H3,(H,22,26)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 382.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-piperidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71230957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).