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

C21H22ClN3O2 — CID 55354137

IUPAC2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(c3nc4ccccc4o3)CC2)c(Cl)c1
InChIInChI=1S/C21H22ClN3O2/c1-14-6-7-17(16(22)12-14)23-20(26)13-25-10-8-15(9-11-25)21-24-18-4-2-3-5-19(18)27-21/h2-7,12,15H,8-11,13H2,1H3,(H,23,26)
InChIKeyKDIYKIIJECTUGQ-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.61
Rot. Bonds4

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

2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 55354137) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID55354137
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(c3nc4ccccc4o3)CC2)c(Cl)c1
InChIInChI=1S/C21H22ClN3O2/c1-14-6-7-17(16(22)12-14)23-20(26)13-25-10-8-15(9-11-25)21-24-18-4-2-3-5-19(18)27-21/h2-7,12,15H,8-11,13H2,1H3,(H,23,26)
InChIKeyKDIYKIIJECTUGQ-UHFFFAOYSA-N
XLogP4.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(4-methylsulfonylphenyl)acetamide
CID 16577327
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 55354119
N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688693
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(benzylcarbamoyl)acetamide
CID 55354015
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 46663861
1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55857016
N-(2,4-dimethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 53152283
[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 9254499
N-(2-bromo-4-nitrophenyl)-2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]acetamide
CID 55838364
N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide
CID 71986633
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 2700135

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide (CID 55354137) is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCC(c3nc4ccccc4o3)CC2)c(Cl)c1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is KDIYKIIJECTUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-14-6-7-17(16(22)12-14)23-20(26)13-25-10-8-15(9-11-25)21-24-18-4-2-3-5-19(18)27-21/h2-7,12,15H,8-11,13H2,1H3,(H,23,26).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide?
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 383.88 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 55354137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).