N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide

C23H26N4O3 — CID 46518244

IUPACN,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C23H26N4O3/c1-24(2)21(28)15-25-11-13-26(14-12-25)22(29)16-27-19-9-5-3-7-17(19)23(30)18-8-4-6-10-20(18)27/h3-10H,11-16H2,1-2H3
InChIKeyPCIJNGJBHNZWKB-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.39
Rot. Bonds4

About N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide

N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 46518244) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID46518244
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C23H26N4O3/c1-24(2)21(28)15-25-11-13-26(14-12-25)22(29)16-27-19-9-5-3-7-17(19)23(30)18-8-4-6-10-20(18)27/h3-10H,11-16H2,1-2H3
InChIKeyPCIJNGJBHNZWKB-UHFFFAOYSA-N
XLogP1.39
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide (CID 46518244) is N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide is CN(C)C(=O)CN1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is PCIJNGJBHNZWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-24(2)21(28)15-25-11-13-26(14-12-25)22(29)16-27-19-9-5-3-7-17(19)23(30)18-8-4-6-10-20(18)27/h3-10H,11-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 46518244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).