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

C14H24N4O2S — CID 97197849

IUPAC(3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@@](C)(C(=O)NCc2nc(CSC)no2)C1
InChIInChI=1S/C14H24N4O2S/c1-4-18-7-5-6-14(2,10-18)13(19)15-8-12-16-11(9-21-3)17-20-12/h4-10H2,1-3H3,(H,15,19)/t14-/m1/s1
InChIKeyDMRNJSLHELAXMA-CQSZACIVSA-N
MW312.44 g/mol
LogP1.67
Rot. Bonds6

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

(3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 97197849) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is (3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID97197849
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name(3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@@](C)(C(=O)NCc2nc(CSC)no2)C1
InChIInChI=1S/C14H24N4O2S/c1-4-18-7-5-6-14(2,10-18)13(19)15-8-12-16-11(9-21-3)17-20-12/h4-10H2,1-3H3,(H,15,19)/t14-/m1/s1
InChIKeyDMRNJSLHELAXMA-CQSZACIVSA-N
XLogP1.67
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 97197849) is (3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is CCN1CCC[C@@](C)(C(=O)NCc2nc(CSC)no2)C1.
What is the InChIKey of (3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is DMRNJSLHELAXMA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-18-7-5-6-14(2,10-18)13(19)15-8-12-16-11(9-21-3)17-20-12/h4-10H2,1-3H3,(H,15,19)/t14-/m1/s1.
What are the key properties of (3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
(3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 97197849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).