3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C12H16N6O2 — CID 47388339

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCc1noc(C2CCCN(C(=O)Nc3cn[nH]c3)C2)n1
InChIInChI=1S/C12H16N6O2/c1-8-15-11(20-17-8)9-3-2-4-18(7-9)12(19)16-10-5-13-14-6-10/h5-6,9H,2-4,7H2,1H3,(H,13,14)(H,16,19)
InChIKeyHWMZKEUGXQBCNH-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.51
Rot. Bonds2

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 47388339) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID47388339
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCc1noc(C2CCCN(C(=O)Nc3cn[nH]c3)C2)n1
InChIInChI=1S/C12H16N6O2/c1-8-15-11(20-17-8)9-3-2-4-18(7-9)12(19)16-10-5-13-14-6-10/h5-6,9H,2-4,7H2,1H3,(H,13,14)(H,16,19)
InChIKeyHWMZKEUGXQBCNH-UHFFFAOYSA-N
XLogP1.51
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 52508463
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120212
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97313996
N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide
CID 60573731
(3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 52858730
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94208001
cis-(1R,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131675
trans-(1S,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131677
N-[[dimethyl(phenyl)silyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 119038571
(3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 97003531
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824398

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 47388339) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide is Cc1noc(C2CCCN(C(=O)Nc3cn[nH]c3)C2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is HWMZKEUGXQBCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-8-15-11(20-17-8)9-3-2-4-18(7-9)12(19)16-10-5-13-14-6-10/h5-6,9H,2-4,7H2,1H3,(H,13,14)(H,16,19).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 47388339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).