N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide

C21H26N4O2 — CID 109053606

IUPACN-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(N(C)C)cc3)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-23(2)19-9-7-18(8-10-19)22-20(26)16-5-4-6-17(15-16)21(27)25-13-11-24(3)12-14-25/h4-10,15H,11-14H2,1-3H3,(H,22,26)
InChIKeyCGRMKQRAXVNYRG-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.39
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide

N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109053606) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109053606
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(N(C)C)cc3)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-23(2)19-9-7-18(8-10-19)22-20(26)16-5-4-6-17(15-16)21(27)25-13-11-24(3)12-14-25/h4-10,15H,11-14H2,1-3H3,(H,22,26)
InChIKeyCGRMKQRAXVNYRG-UHFFFAOYSA-N
XLogP2.39
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 109056729
N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084386
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053558
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104739
3-N-(3,4-difluorophenyl)-1-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109057750
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
N-(4-acetylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053836
1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056881

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide (CID 109053606) is N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide is CN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(N(C)C)cc3)c2)CC1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is CGRMKQRAXVNYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-23(2)19-9-7-18(8-10-19)22-20(26)16-5-4-6-17(15-16)21(27)25-13-11-24(3)12-14-25/h4-10,15H,11-14H2,1-3H3,(H,22,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide?
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 366.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109053606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).