1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide

C17H24N4O2S — CID 74249537

IUPAC1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NCc2noc(Cc3cccs3)n2)CC1
InChIInChI=1S/C17H24N4O2S/c1-12(2)21-7-5-13(6-8-21)17(22)18-11-15-19-16(23-20-15)10-14-4-3-9-24-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,18,22)
InChIKeyPCUJNGVXWILPBD-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.46
Rot. Bonds6

About 1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide

1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 74249537) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
PubChem CID74249537
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NCc2noc(Cc3cccs3)n2)CC1
InChIInChI=1S/C17H24N4O2S/c1-12(2)21-7-5-13(6-8-21)17(22)18-11-15-19-16(23-20-15)10-14-4-3-9-24-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,18,22)
InChIKeyPCUJNGVXWILPBD-UHFFFAOYSA-N
XLogP2.46
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide
CID 72871755
3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115079627
3-methyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344735
[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660341
2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72866403
1-(1-propyltriazol-4-yl)-3-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72855915
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50947861
5-oxo-1-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 50953797
(3R)-7-methoxy-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279476
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22519605
(3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97189926
N-[(3-methylphenyl)methyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928874

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide (CID 74249537) is 1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide is CC(C)N1CCC(C(=O)NCc2noc(Cc3cccs3)n2)CC1.
What is the InChIKey of 1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is PCUJNGVXWILPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12(2)21-7-5-13(6-8-21)17(22)18-11-15-19-16(23-20-15)10-14-4-3-9-24-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,18,22).
What are the key properties of 1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide?
1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 74249537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).