2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide

C21H23N3O4S — CID 16577327

IUPAC2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CN2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C21H23N3O4S/c1-29(26,27)17-8-6-16(7-9-17)22-20(25)14-24-12-10-15(11-13-24)21-23-18-4-2-3-5-19(18)28-21/h2-9,15H,10-14H2,1H3,(H,22,25)
InChIKeyCHFNLEIBMBVVFO-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.05
Rot. Bonds5

About 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide

2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 16577327) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
PubChem CID16577327
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CN2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C21H23N3O4S/c1-29(26,27)17-8-6-16(7-9-17)22-20(25)14-24-12-10-15(11-13-24)21-23-18-4-2-3-5-19(18)28-21/h2-9,15H,10-14H2,1H3,(H,22,25)
InChIKeyCHFNLEIBMBVVFO-UHFFFAOYSA-N
XLogP3.05
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 55354087
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 55354137
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 55354119
3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide
CID 55521712
2-[1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole
CID 55988052
[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 9254499
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide
CID 55354015
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 78900883
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 55837853
1-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 39952257
N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide
CID 95129574
N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 119042108

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide (CID 16577327) is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)CN2CCC(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is CHFNLEIBMBVVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-29(26,27)17-8-6-16(7-9-17)22-20(25)14-24-12-10-15(11-13-24)21-23-18-4-2-3-5-19(18)28-21/h2-9,15H,10-14H2,1H3,(H,22,25).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 413.50 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 16577327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).