N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide

C22H26N6O3 — CID 125018233

IUPACN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide
SMILESCc1ccc(-c2[nH]ncc2C(=O)N2CCC[C@@H](CC(=O)NCc3nonc3C)C2)cc1
InChIInChI=1S/C22H26N6O3/c1-14-5-7-17(8-6-14)21-18(11-24-25-21)22(30)28-9-3-4-16(13-28)10-20(29)23-12-19-15(2)26-31-27-19/h5-8,11,16H,3-4,9-10,12-13H2,1-2H3,(H,23,29)(H,24,25)/t16-/m0/s1
InChIKeyXNGVXNFNCXOIKI-INIZCTEOSA-N
MW422.49 g/mol
LogP2.64
Rot. Bonds6

About N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide (PubChem CID 125018233) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide
PubChem CID125018233
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide
SMILESCc1ccc(-c2[nH]ncc2C(=O)N2CCC[C@@H](CC(=O)NCc3nonc3C)C2)cc1
InChIInChI=1S/C22H26N6O3/c1-14-5-7-17(8-6-14)21-18(11-24-25-21)22(30)28-9-3-4-16(13-28)10-20(29)23-12-19-15(2)26-31-27-19/h5-8,11,16H,3-4,9-10,12-13H2,1-2H3,(H,23,29)(H,24,25)/t16-/m0/s1
InChIKeyXNGVXNFNCXOIKI-INIZCTEOSA-N
XLogP2.64
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-imidazol-1-ylethyl)-2-[(3R)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide
CID 124991256
N-(2-imidazol-1-ylethyl)-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide
CID 124991257
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide
CID 125003507
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3R)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide
CID 125003508
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide
CID 110085692
[3-(methylaminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119395429
N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51964813
3-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124689327
(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119378470
[(3S)-3-ethoxypiperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95584023
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489278
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 95282732

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide (CID 125018233) is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide is Cc1ccc(-c2[nH]ncc2C(=O)N2CCC[C@@H](CC(=O)NCc3nonc3C)C2)cc1.
What is the InChIKey of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide?
The InChIKey is XNGVXNFNCXOIKI-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-14-5-7-17(8-6-14)21-18(11-24-25-21)22(30)28-9-3-4-16(13-28)10-20(29)23-12-19-15(2)26-31-27-19/h5-8,11,16H,3-4,9-10,12-13H2,1-2H3,(H,23,29)(H,24,25)/t16-/m0/s1.
What are the key properties of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide?
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide has a molecular weight of 422.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 125018233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).