(3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide

C14H21F3N4O2 — CID 126439584

IUPAC(3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@](C)(C(=O)NCCc2noc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H21F3N4O2/c1-3-21-8-4-6-13(2,9-21)11(22)18-7-5-10-19-12(23-20-10)14(15,16)17/h3-9H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyAFASTZKEKMXNSW-ZDUSSCGKSA-N
MW334.34 g/mol
LogP1.87
Rot. Bonds5

About (3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide

(3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide (PubChem CID 126439584) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is (3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide
PubChem CID126439584
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name(3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@](C)(C(=O)NCCc2noc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H21F3N4O2/c1-3-21-8-4-6-13(2,9-21)11(22)18-7-5-10-19-12(23-20-10)14(15,16)17/h3-9H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyAFASTZKEKMXNSW-ZDUSSCGKSA-N
XLogP1.87
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide (CID 126439584) is (3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide is CCN1CCC[C@](C)(C(=O)NCCc2noc(C(F)(F)F)n2)C1.
What is the InChIKey of (3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide?
The InChIKey is AFASTZKEKMXNSW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-3-21-8-4-6-13(2,9-21)11(22)18-7-5-10-19-12(23-20-10)14(15,16)17/h3-9H2,1-2H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide?
(3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 126439584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).