N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide

C27H25N3O4 — CID 55692126

IUPACN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1N1CCCCC1=O
InChIInChI=1S/C27H25N3O4/c1-34-24-14-13-18(16-23(24)29-15-7-6-12-26(29)32)28-25(31)17-30-21-10-4-2-8-19(21)27(33)20-9-3-5-11-22(20)30/h2-5,8-11,13-14,16H,6-7,12,15,17H2,1H3,(H,28,31)
InChIKeyGPAWNUQGAMRMDB-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.32
Rot. Bonds5

About N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 55692126) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID55692126
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1N1CCCCC1=O
InChIInChI=1S/C27H25N3O4/c1-34-24-14-13-18(16-23(24)29-15-7-6-12-26(29)32)28-25(31)17-30-21-10-4-2-8-19(21)27(33)20-9-3-5-11-22(20)30/h2-5,8-11,13-14,16H,6-7,12,15,17H2,1H3,(H,28,31)
InChIKeyGPAWNUQGAMRMDB-UHFFFAOYSA-N
XLogP4.32
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 60553812
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55691949
2-(9-oxoacridin-10-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 16583770
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55692006
4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 55691944
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
CID 55685050
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
2-(3,4-dihydro-2H-chromen-4-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 126786026
2-ethoxy-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687841
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55657207

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide (CID 55692126) is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide is COc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1N1CCCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is GPAWNUQGAMRMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-34-24-14-13-18(16-23(24)29-15-7-6-12-26(29)32)28-25(31)17-30-21-10-4-2-8-19(21)27(33)20-9-3-5-11-22(20)30/h2-5,8-11,13-14,16H,6-7,12,15,17H2,1H3,(H,28,31).
What are the key properties of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 455.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 55692126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).