(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C21H25N5O2 — CID 55885180

IUPAC(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCCN(C(=O)c3c(C)nn(Cc4ccccc4)c3C)C2)n1
InChIInChI=1S/C21H25N5O2/c1-14-19(15(2)26(23-14)12-17-8-5-4-6-9-17)21(27)25-11-7-10-18(13-25)20-22-16(3)24-28-20/h4-6,8-9,18H,7,10-13H2,1-3H3
InChIKeyPWKJZXVSMWTMBX-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.26
Rot. Bonds4

About (1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 55885180) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID55885180
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCCN(C(=O)c3c(C)nn(Cc4ccccc4)c3C)C2)n1
InChIInChI=1S/C21H25N5O2/c1-14-19(15(2)26(23-14)12-17-8-5-4-6-9-17)21(27)25-11-7-10-18(13-25)20-22-16(3)24-28-20/h4-6,8-9,18H,7,10-13H2,1-3H3
InChIKeyPWKJZXVSMWTMBX-UHFFFAOYSA-N
XLogP3.26
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 49122092
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86935527
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 9041474
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
CID 56810648
N-[[dimethyl(phenyl)silyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 119038571
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129352492
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide
CID 94800955
N-benzyl-N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 75462039
furan-3-yl-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94207997
[2-[(2-chlorophenyl)methoxy]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 60525709

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 55885180) is (1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCCN(C(=O)c3c(C)nn(Cc4ccccc4)c3C)C2)n1.
What is the InChIKey of (1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is PWKJZXVSMWTMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-19(15(2)26(23-14)12-17-8-5-4-6-9-17)21(27)25-11-7-10-18(13-25)20-22-16(3)24-28-20/h4-6,8-9,18H,7,10-13H2,1-3H3.
What are the key properties of (1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 55885180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).