2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide

C27H32ClN3O3 — CID 10256047

IUPAC2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C27H32ClN3O3/c28-22-8-11-25-21(16-22)18-34-27(33)31(25)24-12-14-30(15-13-24)17-26(32)29-23-9-6-20(7-10-23)19-4-2-1-3-5-19/h6-11,16,19,24H,1-5,12-15,17-18H2,(H,29,32)
InChIKeyGVEAGBAQDQCXGJ-UHFFFAOYSA-N
MW482.02 g/mol
LogP5.95
Rot. Bonds5

About 2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide

2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide (PubChem CID 10256047) has the molecular formula C27H32ClN3O3 and a molecular weight of 482.02 g/mol. Its IUPAC name is 2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide
PubChem CID10256047
Molecular FormulaC27H32ClN3O3
Molecular Weight482.02 g/mol
Exact Mass481.21
IUPAC Name2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C27H32ClN3O3/c28-22-8-11-25-21(16-22)18-34-27(33)31(25)24-12-14-30(15-13-24)17-26(32)29-23-9-6-20(7-10-23)19-4-2-1-3-5-19/h6-11,16,19,24H,1-5,12-15,17-18H2,(H,29,32)
InChIKeyGVEAGBAQDQCXGJ-UHFFFAOYSA-N
XLogP5.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.02
LogP ≤ 55.95
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-(4-hydroxyphenyl)acetamide
CID 11408358
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide
CID 10252461
N-(4-acetylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 11754799
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 10459583
2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide
CID 10317576
N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
CID 10482173
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
N-[4-(N-ethylanilino)phenyl]-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10459355
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
N-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-[4-(diethylamino)phenyl]acetamide
CID 90863019
N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 22448041
6-chloro-1-[1-[(3,5-dichlorophenyl)methylsulfinyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 142998590

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide?
The IUPAC name of 2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide (CID 10256047) is 2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide.
What is the SMILES notation for 2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide?
The canonical SMILES for 2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide is O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide?
The InChIKey is GVEAGBAQDQCXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O3/c28-22-8-11-25-21(16-22)18-34-27(33)31(25)24-12-14-30(15-13-24)17-26(32)29-23-9-6-20(7-10-23)19-4-2-1-3-5-19/h6-11,16,19,24H,1-5,12-15,17-18H2,(H,29,32).
What are the key properties of 2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide?
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide has a molecular weight of 482.02 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide is sourced from PubChem (CID 10256047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).