N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

C29H25N3O5 — CID 10482173

IUPACN-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C29H25N3O5/c33-26(30-19-9-10-23-24(15-19)28(35)22-7-3-2-6-21(22)27(23)34)16-31-13-11-20(12-14-31)32-25-8-4-1-5-18(25)17-37-29(32)36/h1-10,15,20H,11-14,16-17H2,(H,30,33)
InChIKeyLNYRUONHRRMOCZ-UHFFFAOYSA-N
MW495.54 g/mol
LogP4.02
Rot. Bonds4

About N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 10482173) has the molecular formula C29H25N3O5 and a molecular weight of 495.54 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
PubChem CID10482173
Molecular FormulaC29H25N3O5
Molecular Weight495.54 g/mol
Exact Mass495.18
IUPAC NameN-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C29H25N3O5/c33-26(30-19-9-10-23-24(15-19)28(35)22-7-3-2-6-21(22)27(23)34)16-31-13-11-20(12-14-31)32-25-8-4-1-5-18(25)17-37-29(32)36/h1-10,15,20H,11-14,16-17H2,(H,30,33)
InChIKeyLNYRUONHRRMOCZ-UHFFFAOYSA-N
XLogP4.02
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

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-(N-ethylanilino)phenyl]-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10459355
2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide
CID 10317576
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide
CID 10252461
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-(4-phenoxyphenyl)acetamide
CID 10459583
1-[1-[2-oxo-3-(1-oxo-2,3-dihydroinden-5-yl)propyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 58349762
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-cyclohexylphenyl)acetamide
CID 10256047
N-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
CID 10367537
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 34224927
2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)-5,6-didehydro-3,4-dihydro-2H-pyridin-1-yl]-N-(9-oxofluoren-3-yl)acetamide
CID 87944537

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (CID 10482173) is N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is LNYRUONHRRMOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O5/c33-26(30-19-9-10-23-24(15-19)28(35)22-7-3-2-6-21(22)27(23)34)16-31-13-11-20(12-14-31)32-25-8-4-1-5-18(25)17-37-29(32)36/h1-10,15,20H,11-14,16-17H2,(H,30,33).
What are the key properties of N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 495.54 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 10482173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).