(3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide

C22H27N5O2S — CID 95101094

IUPAC(3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
SMILESCCc1nc(-c2cccnc2N2CCC[C@@H](C(=O)N[C@@H](CC)c3cccs3)C2)no1
InChIInChI=1S/C22H27N5O2S/c1-3-17(18-10-7-13-30-18)24-22(28)15-8-6-12-27(14-15)21-16(9-5-11-23-21)20-25-19(4-2)29-26-20/h5,7,9-11,13,15,17H,3-4,6,8,12,14H2,1-2H3,(H,24,28)/t15-,17+/m1/s1
InChIKeyOZMDAFYPDRZWDA-WBVHZDCISA-N
MW425.56 g/mol
LogP4.24
Rot. Bonds7

About (3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide

(3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide (PubChem CID 95101094) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is (3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
PubChem CID95101094
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name(3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
SMILESCCc1nc(-c2cccnc2N2CCC[C@@H](C(=O)N[C@@H](CC)c3cccs3)C2)no1
InChIInChI=1S/C22H27N5O2S/c1-3-17(18-10-7-13-30-18)24-22(28)15-8-6-12-27(14-15)21-16(9-5-11-23-21)20-25-19(4-2)29-26-20/h5,7,9-11,13,15,17H,3-4,6,8,12,14H2,1-2H3,(H,24,28)/t15-,17+/m1/s1
InChIKeyOZMDAFYPDRZWDA-WBVHZDCISA-N
XLogP4.24
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 53166201
azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 53166187
(3S)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95101053
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 95101129
(3R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 95101176
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770049
1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 83273239
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95101144
(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
CID 42190788
1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53166229
3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
CID 55931373
N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166155

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide (CID 95101094) is (3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide is CCc1nc(-c2cccnc2N2CCC[C@@H](C(=O)N[C@@H](CC)c3cccs3)C2)no1.
What is the InChIKey of (3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide?
The InChIKey is OZMDAFYPDRZWDA-WBVHZDCISA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-3-17(18-10-7-13-30-18)24-22(28)15-8-6-12-27(14-15)21-16(9-5-11-23-21)20-25-19(4-2)29-26-20/h5,7,9-11,13,15,17H,3-4,6,8,12,14H2,1-2H3,(H,24,28)/t15-,17+/m1/s1.
What are the key properties of (3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide?
(3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide is sourced from PubChem (CID 95101094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).