N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride

C24H28ClN3O4 — CID 11753884

IUPACN-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
SMILESCC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1.Cl
InChIInChI=1S/C24H27N3O4.ClH/c1-16-3-8-22-19(13-16)15-31-24(30)27(22)21-9-11-26(12-10-21)14-23(29)25-20-6-4-18(5-7-20)17(2)28;/h3-8,13,21H,9-12,14-15H2,1-2H3,(H,25,29);1H
InChIKeyBNUYGRIEXDQDJU-UHFFFAOYSA-N
MW457.96 g/mol
LogP4.18
Rot. Bonds5

About N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride

N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 11753884) has the molecular formula C24H28ClN3O4 and a molecular weight of 457.96 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
PubChem CID11753884
Molecular FormulaC24H28ClN3O4
Molecular Weight457.96 g/mol
Exact Mass457.18
IUPAC NameN-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
SMILESCC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1.Cl
InChIInChI=1S/C24H27N3O4.ClH/c1-16-3-8-22-19(13-16)15-31-24(30)27(22)21-9-11-26(12-10-21)14-23(29)25-20-6-4-18(5-7-20)17(2)28;/h3-8,13,21H,9-12,14-15H2,1-2H3,(H,25,29);1H
InChIKeyBNUYGRIEXDQDJU-UHFFFAOYSA-N
XLogP4.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride (CID 11753884) is N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride is CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1.Cl.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is BNUYGRIEXDQDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4.ClH/c1-16-3-8-22-19(13-16)15-31-24(30)27(22)21-9-11-26(12-10-21)14-23(29)25-20-6-4-18(5-7-20)17(2)28;/h3-8,13,21H,9-12,14-15H2,1-2H3,(H,25,29);1H.
What are the key properties of N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?
N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 457.96 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 11753884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).