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

C15H20N6O2 — CID 138028277

IUPAC3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1nccc(NC(=O)N2CCCC(Cc3nc(C)no3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-10-16-6-5-13(17-10)19-15(22)21-7-3-4-12(9-21)8-14-18-11(2)20-23-14/h5-6,12H,3-4,7-9H2,1-2H3,(H,16,17,19,22)
InChIKeyFHESJAJOXYOBEC-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.96
Rot. Bonds3

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

3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide (PubChem CID 138028277) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
PubChem CID138028277
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1nccc(NC(=O)N2CCCC(Cc3nc(C)no3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-10-16-6-5-13(17-10)19-15(22)21-7-3-4-12(9-21)8-14-18-11(2)20-23-14/h5-6,12H,3-4,7-9H2,1-2H3,(H,16,17,19,22)
InChIKeyFHESJAJOXYOBEC-UHFFFAOYSA-N
XLogP1.96
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopentylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 155954949
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 127931930
N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 146105639
1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089896
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 138022873
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
CID 138022982
N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 86265899
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 136566934
2-[3-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]phenyl]acetic acid
CID 146141595
(3R)-N-(5-fluoro-2-pyridinyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 99597501
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 90642052
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 86265895

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide (CID 138028277) is 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide is Cc1nccc(NC(=O)N2CCCC(Cc3nc(C)no3)C2)n1.
What is the InChIKey of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
The InChIKey is FHESJAJOXYOBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10-16-6-5-13(17-10)19-15(22)21-7-3-4-12(9-21)8-14-18-11(2)20-23-14/h5-6,12H,3-4,7-9H2,1-2H3,(H,16,17,19,22).
What are the key properties of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide?
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138028277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).