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

C20H24N6O2 — CID 125143048

IUPAC(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCCN2C(=O)NCc2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C20H24N6O2/c1-15-23-19(28-24-15)18-9-5-6-10-26(18)20(27)21-11-17-12-22-25(14-17)13-16-7-3-2-4-8-16/h2-4,7-8,12,14,18H,5-6,9-11,13H2,1H3,(H,21,27)/t18-/m1/s1
InChIKeyJXIZALGACRYECJ-GOSISDBHSA-N
MW380.45 g/mol
LogP3.06
Rot. Bonds5

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

(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 125143048) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID125143048
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCCN2C(=O)NCc2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C20H24N6O2/c1-15-23-19(28-24-15)18-9-5-6-10-26(18)20(27)21-11-17-12-22-25(14-17)13-16-7-3-2-4-8-16/h2-4,7-8,12,14,18H,5-6,9-11,13H2,1H3,(H,21,27)/t18-/m1/s1
InChIKeyJXIZALGACRYECJ-GOSISDBHSA-N
XLogP3.06
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 90564298
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 72925424
(2S)-N-(furan-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 95186545
(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 126436597
(2S)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 126425990
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
CID 110196408
N-benzyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 5214054
(2R)-N-benzyl-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301605
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 139001157
(2S)-N-benzyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057942
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide
CID 53338100

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 125143048) is (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is Cc1noc([C@H]2CCCCN2C(=O)NCc2cnn(Cc3ccccc3)c2)n1.
What is the InChIKey of (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is JXIZALGACRYECJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-15-23-19(28-24-15)18-9-5-6-10-26(18)20(27)21-11-17-12-22-25(14-17)13-16-7-3-2-4-8-16/h2-4,7-8,12,14,18H,5-6,9-11,13H2,1H3,(H,21,27)/t18-/m1/s1.
What are the key properties of (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 125143048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).