2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide

C22H25N3O3 — CID 10317576

IUPAC2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide
SMILESCc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H25N3O3/c1-16-7-8-20-17(13-16)15-28-22(27)25(20)19-9-11-24(12-10-19)14-21(26)23-18-5-3-2-4-6-18/h2-8,13,19H,9-12,14-15H2,1H3,(H,23,26)
InChIKeyKNZIPARBRZJVHG-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.55
Rot. Bonds4

About 2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide

2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide (PubChem CID 10317576) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide
PubChem CID10317576
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide
SMILESCc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H25N3O3/c1-16-7-8-20-17(13-16)15-28-22(27)25(20)19-9-11-24(12-10-19)14-21(26)23-18-5-3-2-4-6-18/h2-8,13,19H,9-12,14-15H2,1H3,(H,23,26)
InChIKeyKNZIPARBRZJVHG-UHFFFAOYSA-N
XLogP3.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide
CID 10252461
N-(9-hydroxy-9H-fluoren-3-yl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10006877
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 10459583
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-hydroxyphenyl)acetamide
CID 11408358
N-(4-acetylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 11754799
N-[4-(N-ethylanilino)phenyl]-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10459355
N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
CID 10482173
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide
CID 10256047
1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one
CID 68620145
6-methyl-1-[1-(4-methylnaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68525207
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 22063088

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide (CID 10317576) is 2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide is Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide?
The InChIKey is KNZIPARBRZJVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-7-8-20-17(13-16)15-28-22(27)25(20)19-9-11-24(12-10-19)14-21(26)23-18-5-3-2-4-6-18/h2-8,13,19H,9-12,14-15H2,1H3,(H,23,26).
What are the key properties of 2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide?
2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide has a molecular weight of 379.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 10317576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).