2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride

C22H26ClN3O3 — CID 10001923

IUPAC2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride
SMILESCc1cccc2c1N(C1CCN(CC(=O)Nc3ccccc3)CC1)C(=O)OC2.Cl
InChIInChI=1S/C22H25N3O3.ClH/c1-16-6-5-7-17-15-28-22(27)25(21(16)17)19-10-12-24(13-11-19)14-20(26)23-18-8-3-2-4-9-18;/h2-9,19H,10-15H2,1H3,(H,23,26);1H
InChIKeyXPDQHUUKMBHHOT-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.98
Rot. Bonds4

About 2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride

2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride (PubChem CID 10001923) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride
PubChem CID10001923
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride
SMILESCc1cccc2c1N(C1CCN(CC(=O)Nc3ccccc3)CC1)C(=O)OC2.Cl
InChIInChI=1S/C22H25N3O3.ClH/c1-16-6-5-7-17-15-28-22(27)25(21(16)17)19-10-12-24(13-11-19)14-20(26)23-18-8-3-2-4-9-18;/h2-9,19H,10-15H2,1H3,(H,23,26);1H
InChIKeyXPDQHUUKMBHHOT-UHFFFAOYSA-N
XLogP3.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzoylphenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10052376
N-(4-acetylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10094962
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide;hydrochloride
CID 10256046
N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
CID 10368752
N-(4-chlorophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10433144
N-(4-cyanophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10455185
2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 10481363
N-(4-acetylphenyl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 11753884
3-[1-[[3-(Methoxymethyl)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one;hydrochloride
CID 45263323
(+/-)-benzyl 2-methyl-4-(N-phenylacetamido)-3,4-dihydroquinoline-1(2H)-carboxylate
CID 46878931
Benzyl 2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 4234707
Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate
CID 2367131

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride?
The IUPAC name of 2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride (CID 10001923) is 2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride?
The canonical SMILES for 2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride is Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccccc3)CC1)C(=O)OC2.Cl.
What is the InChIKey of 2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride?
The InChIKey is XPDQHUUKMBHHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.ClH/c1-16-6-5-7-17-15-28-22(27)25(21(16)17)19-10-12-24(13-11-19)14-20(26)23-18-8-3-2-4-9-18;/h2-9,19H,10-15H2,1H3,(H,23,26);1H.
What are the key properties of 2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride?
2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide;hydrochloride is sourced from PubChem (CID 10001923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).