N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide

C22H26N6O3 — CID 110085692

IUPACN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide
SMILESCc1ccc(C(=O)N2CCCC(CC(=O)NCc3nonc3C)C2)cc1-n1cccn1
InChIInChI=1S/C22H26N6O3/c1-15-6-7-18(12-20(15)28-10-4-8-24-28)22(30)27-9-3-5-17(14-27)11-21(29)23-13-19-16(2)25-31-26-19/h4,6-8,10,12,17H,3,5,9,11,13-14H2,1-2H3,(H,23,29)
InChIKeyPDYIHVPHFNPZMI-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.43
Rot. Bonds6

About N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide (PubChem CID 110085692) 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-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide
PubChem CID110085692
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide
SMILESCc1ccc(C(=O)N2CCCC(CC(=O)NCc3nonc3C)C2)cc1-n1cccn1
InChIInChI=1S/C22H26N6O3/c1-15-6-7-18(12-20(15)28-10-4-8-24-28)22(30)27-9-3-5-17(14-27)11-21(29)23-13-19-16(2)25-31-26-19/h4,6-8,10,12,17H,3,5,9,11,13-14H2,1-2H3,(H,23,29)
InChIKeyPDYIHVPHFNPZMI-UHFFFAOYSA-N
XLogP2.43
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(3S)-1-[5-(4-methylphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]acetamide
CID 125018233
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122106979
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 125010912
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 110085800
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide
CID 124972323
N-[2-(3,4-dimethylphenoxy)ethyl]-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide
CID 124992275
(3,4-dichlorophenyl)-[3-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10837000
N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propanamide
CID 42095240
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
3-methyl-1-[10-(4-methyl-3-pyrazol-1-ylbenzoyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-2-yl]butan-1-one
CID 133068338

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide (CID 110085692) is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide is Cc1ccc(C(=O)N2CCCC(CC(=O)NCc3nonc3C)C2)cc1-n1cccn1.
What is the InChIKey of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide?
The InChIKey is PDYIHVPHFNPZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-15-6-7-18(12-20(15)28-10-4-8-24-28)22(30)27-9-3-5-17(14-27)11-21(29)23-13-19-16(2)25-31-26-19/h4,6-8,10,12,17H,3,5,9,11,13-14H2,1-2H3,(H,23,29).
What are the key properties of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide?
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide has a molecular weight of 422.49 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[1-(4-methyl-3-pyrazol-1-ylbenzoyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 110085692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).