N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide

C30H34N4O2 — CID 39303950

IUPACN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)c1
InChIInChI=1S/C30H34N4O2/c1-23-9-8-10-24(21-23)33-19-17-32(18-20-33)16-7-6-15-31-29(35)22-34-27-13-4-2-11-25(27)30(36)26-12-3-5-14-28(26)34/h2-5,8-14,21H,6-7,15-20,22H2,1H3,(H,31,35)
InChIKeyVPUHCRYDXMVSTF-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.18
Rot. Bonds8

About N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 39303950) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID39303950
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)c1
InChIInChI=1S/C30H34N4O2/c1-23-9-8-10-24(21-23)33-19-17-32(18-20-33)16-7-6-15-31-29(35)22-34-27-13-4-2-11-25(27)30(36)26-12-3-5-14-28(26)34/h2-5,8-14,21H,6-7,15-20,22H2,1H3,(H,31,35)
InChIKeyVPUHCRYDXMVSTF-UHFFFAOYSA-N
XLogP4.18
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 39052113
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55842150
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide
CID 42959856
2-methyl-N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylamino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 55662153
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
4-(2,5-dimethylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxobutanamide
CID 46448458
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
2-methyl-1-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 75532336
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 39303958

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide (CID 39303950) is N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide is Cc1cccc(N2CCN(CCCCNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)c1.
What is the InChIKey of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is VPUHCRYDXMVSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-23-9-8-10-24(21-23)33-19-17-32(18-20-33)16-7-6-15-31-29(35)22-34-27-13-4-2-11-25(27)30(36)26-12-3-5-14-28(26)34/h2-5,8-14,21H,6-7,15-20,22H2,1H3,(H,31,35).
What are the key properties of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 482.63 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 39303950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).