3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

C18H21F3N4O2 — CID 97284094

IUPAC3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC[C@@H]1CCCN(Cc2ncon2)C1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H21F3N4O2/c19-18(20,21)14-4-6-15(7-5-14)23-17(26)8-3-13-2-1-9-25(10-13)11-16-22-12-27-24-16/h4-7,12-13H,1-3,8-11H2,(H,23,26)/t13-/m0/s1
InChIKeyCNVROIWHDNBGMO-ZDUSSCGKSA-N
MW382.39 g/mol
LogP3.72
Rot. Bonds6

About 3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 97284094) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID97284094
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC[C@@H]1CCCN(Cc2ncon2)C1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H21F3N4O2/c19-18(20,21)14-4-6-15(7-5-14)23-17(26)8-3-13-2-1-9-25(10-13)11-16-22-12-27-24-16/h4-7,12-13H,1-3,8-11H2,(H,23,26)/t13-/m0/s1
InChIKeyCNVROIWHDNBGMO-ZDUSSCGKSA-N
XLogP3.72
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97279744
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45219731
3-[(3R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97281937
3-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42456464
3-[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42513881
3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97271885
3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45232912
3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26315418
N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 42358991
3-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45186780
3-[1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45215023
3-[1-(2-acetylbenzoyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 97284094) is 3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CC[C@@H]1CCCN(Cc2ncon2)C1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CNVROIWHDNBGMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c19-18(20,21)14-4-6-15(7-5-14)23-17(26)8-3-13-2-1-9-25(10-13)11-16-22-12-27-24-16/h4-7,12-13H,1-3,8-11H2,(H,23,26)/t13-/m0/s1.
What are the key properties of 3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 382.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 97284094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).