(2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide

C20H29N5O2 — CID 125447226

IUPAC(2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
SMILESCC(C)(C)c1noc(CNC(=O)N2CCCC[C@@H]2CCc2ccccn2)n1
InChIInChI=1S/C20H29N5O2/c1-20(2,3)18-23-17(27-24-18)14-22-19(26)25-13-7-5-9-16(25)11-10-15-8-4-6-12-21-15/h4,6,8,12,16H,5,7,9-11,13-14H2,1-3H3,(H,22,26)/t16-/m1/s1
InChIKeyMHQMXKYRBJOKSG-MRXNPFEDSA-N
MW371.49 g/mol
LogP3.46
Rot. Bonds5

About (2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide

(2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide (PubChem CID 125447226) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
PubChem CID125447226
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name(2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
SMILESCC(C)(C)c1noc(CNC(=O)N2CCCC[C@@H]2CCc2ccccn2)n1
InChIInChI=1S/C20H29N5O2/c1-20(2,3)18-23-17(27-24-18)14-22-19(26)25-13-7-5-9-16(25)11-10-15-8-4-6-12-21-15/h4,6,8,12,16H,5,7,9-11,13-14H2,1-3H3,(H,22,26)/t16-/m1/s1
InChIKeyMHQMXKYRBJOKSG-MRXNPFEDSA-N
XLogP3.46
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 119065952
(2S)-2-[2-(methanesulfonamido)ethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 94677155
2-[2-(methanesulfonamido)ethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 47066287
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one
CID 94616712
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 91841533
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 122572561
1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 99929974
(5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 70762389
(5-propyl-1H-pyrazol-3-yl)-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 97141726
2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione
CID 95227998
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide
CID 122566180
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 42292261

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide (CID 125447226) is (2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide is CC(C)(C)c1noc(CNC(=O)N2CCCC[C@@H]2CCc2ccccn2)n1.
What is the InChIKey of (2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide?
The InChIKey is MHQMXKYRBJOKSG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-20(2,3)18-23-17(27-24-18)14-22-19(26)25-13-7-5-9-16(25)11-10-15-8-4-6-12-21-15/h4,6,8,12,16H,5,7,9-11,13-14H2,1-3H3,(H,22,26)/t16-/m1/s1.
What are the key properties of (2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide?
(2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125447226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).