N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide

C23H32N4O2 — CID 46055599

IUPACN-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCOc1ccc(N2CCN(Cc3cccc(C(=O)NCCN(C)C)c3)CC2)cc1
InChIInChI=1S/C23H32N4O2/c1-25(2)12-11-24-23(28)20-6-4-5-19(17-20)18-26-13-15-27(16-14-26)21-7-9-22(29-3)10-8-21/h4-10,17H,11-16,18H2,1-3H3,(H,24,28)
InChIKeyWBFRLYBVUSYEOA-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.31
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide

N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide (PubChem CID 46055599) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
PubChem CID46055599
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCOc1ccc(N2CCN(Cc3cccc(C(=O)NCCN(C)C)c3)CC2)cc1
InChIInChI=1S/C23H32N4O2/c1-25(2)12-11-24-23(28)20-6-4-5-19(17-20)18-26-13-15-27(16-14-26)21-7-9-22(29-3)10-8-21/h4-10,17H,11-16,18H2,1-3H3,(H,24,28)
InChIKeyWBFRLYBVUSYEOA-UHFFFAOYSA-N
XLogP2.31
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 42858719
3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 46055638
N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 46055967
N-[2-(dimethylamino)ethyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043620
4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858721
4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 139726509
N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
CID 83288344
3-[[4-[4-(methoxyamino)phenyl]piperazin-1-yl]methyl]-N-phenacylbenzamide
CID 167146550
N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055949
N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690891
3-cyano-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 39990286
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46055817

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide (CID 46055599) is N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide is COc1ccc(N2CCN(Cc3cccc(C(=O)NCCN(C)C)c3)CC2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is WBFRLYBVUSYEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-25(2)12-11-24-23(28)20-6-4-5-19(17-20)18-26-13-15-27(16-14-26)21-7-9-22(29-3)10-8-21/h4-10,17H,11-16,18H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide?
N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 396.54 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 46055599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).