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

C22H26N6O3 — CID 125003507

IUPACN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide
SMILESCc1nonc1CNC(=O)C[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3)n2)C1
InChIInChI=1S/C22H26N6O3/c1-15-11-19(24-28(15)18-8-4-3-5-9-18)22(30)27-10-6-7-17(14-27)12-21(29)23-13-20-16(2)25-31-26-20/h3-5,8-9,11,17H,6-7,10,12-14H2,1-2H3,(H,23,29)/t17-/m0/s1
InChIKeySSAPDBALCFSOKU-KRWDZBQOSA-N
MW422.49 g/mol
LogP2.43
Rot. Bonds6

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

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide (PubChem CID 125003507) 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-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide
PubChem CID125003507
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-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide
SMILESCc1nonc1CNC(=O)C[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3)n2)C1
InChIInChI=1S/C22H26N6O3/c1-15-11-19(24-28(15)18-8-4-3-5-9-18)22(30)27-10-6-7-17(14-27)12-21(29)23-13-20-16(2)25-31-26-20/h3-5,8-9,11,17H,6-7,10,12-14H2,1-2H3,(H,23,29)/t17-/m0/s1
InChIKeySSAPDBALCFSOKU-KRWDZBQOSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of 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) is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-(5-methyl-1-phenylpyrazole-3-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-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide is Cc1nonc1CNC(=O)C[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3)n2)C1.
What is the InChIKey of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is SSAPDBALCFSOKU-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-15-11-19(24-28(15)18-8-4-3-5-9-18)22(30)27-10-6-7-17(14-27)12-21(29)23-13-20-16(2)25-31-26-20/h3-5,8-9,11,17H,6-7,10,12-14H2,1-2H3,(H,23,29)/t17-/m0/s1.
What are the key properties of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide?
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[(3S)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)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-[(3S)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 125003507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).