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

C28H29N3O4 — CID 22063088

IUPAC2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESCC1OC(=O)N(C2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21
InChIInChI=1S/C28H29N3O4/c1-20-25-9-5-6-10-26(25)31(28(33)34-20)22-15-17-30(18-16-22)19-27(32)29-21-11-13-24(14-12-21)35-23-7-3-2-4-8-23/h2-14,20,22H,15-19H2,1H3,(H,29,32)
InChIKeyFPIQLUQAZSYYES-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.60
Rot. Bonds6

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

2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 22063088) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID22063088
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESCC1OC(=O)N(C2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21
InChIInChI=1S/C28H29N3O4/c1-20-25-9-5-6-10-26(25)31(28(33)34-20)22-15-17-30(18-16-22)19-27(32)29-21-11-13-24(14-12-21)35-23-7-3-2-4-8-23/h2-14,20,22H,15-19H2,1H3,(H,29,32)
InChIKeyFPIQLUQAZSYYES-UHFFFAOYSA-N
XLogP5.60
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 10459583
4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid
CID 141044413
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 16909376
N-[4-(N-ethylanilino)phenyl]-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10459355
N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide
CID 119039409
2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide
CID 10317576
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide
CID 10252461
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
N-(4-phenoxyphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666451

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide (CID 22063088) is 2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide is CC1OC(=O)N(C2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21.
What is the InChIKey of 2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is FPIQLUQAZSYYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-20-25-9-5-6-10-26(25)31(28(33)34-20)22-15-17-30(18-16-22)19-27(32)29-21-11-13-24(14-12-21)35-23-7-3-2-4-8-23/h2-14,20,22H,15-19H2,1H3,(H,29,32).
What are the key properties of 2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 471.56 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 22063088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).