2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

C22H24ClN3O4 — CID 78900883

IUPAC2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1OC
InChIInChI=1S/C22H24ClN3O4/c1-28-19-6-4-16(12-20(19)29-2)24-21(27)13-26-9-7-14(8-10-26)22-25-17-11-15(23)3-5-18(17)30-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyHYIMVOJPLKCNDW-UHFFFAOYSA-N
MW429.90 g/mol
LogP4.32
Rot. Bonds6

About 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 78900883) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID78900883
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC Name2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1OC
InChIInChI=1S/C22H24ClN3O4/c1-28-19-6-4-16(12-20(19)29-2)24-21(27)13-26-9-7-14(8-10-26)22-25-17-11-15(23)3-5-18(17)30-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyHYIMVOJPLKCNDW-UHFFFAOYSA-N
XLogP4.32
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 55837853
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47089265
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239
methyl N-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 51124820
N-(2-bromo-4-nitrophenyl)-2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]acetamide
CID 55838364
N-(3,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130053
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 16909656
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120776425
N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
CID 121116640
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 46416250
N-(3-chloro-4-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909629
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 16577327

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (CID 78900883) is 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1OC.
What is the InChIKey of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is HYIMVOJPLKCNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-28-19-6-4-16(12-20(19)29-2)24-21(27)13-26-9-7-14(8-10-26)22-25-17-11-15(23)3-5-18(17)30-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27).
What are the key properties of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 429.90 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 78900883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).