4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine

C64H68N10O3 — CID 91267522

IUPAC4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine
SMILESC=Nc1ccccc1.CNC(=O)c1ccc(N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1.CNC(=O)c1ccc(NC(=O)Nc2ccccc2)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C32H33N5O2.C25H28N4O.C7H7N/c1-33-31(38)26-17-18-28(35-32(39)34-27-15-9-4-10-16-27)29(23-26)36-19-21-37(22-20-36)30(24-11-5-2-6-12-24)25-13-7-3-8-14-25;1-27-25(30)21-12-13-22(26)23(18-21)28-14-16-29(17-15-28)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20;1-8-7-5-3-2-4-6-7/h2-18,23,30H,19-22H2,1H3,(H,33,38)(H2,34,35,39);2-13,18,24H,14-17,26H2,1H3,(H,27,30);2-6H,1H2
InChIKeyANYXZNMUEUTPPO-UHFFFAOYSA-N
MW1025.32 g/mol
LogP11.16
Rot. Bonds13

About 4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine

4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine (PubChem CID 91267522) has the molecular formula C64H68N10O3 and a molecular weight of 1025.32 g/mol. Its IUPAC name is 4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine.

Molecular Properties

Compound Name4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine
PubChem CID91267522
Molecular FormulaC64H68N10O3
Molecular Weight1025.32 g/mol
Exact Mass1024.55
IUPAC Name4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine
SMILESC=Nc1ccccc1.CNC(=O)c1ccc(N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1.CNC(=O)c1ccc(NC(=O)Nc2ccccc2)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C32H33N5O2.C25H28N4O.C7H7N/c1-33-31(38)26-17-18-28(35-32(39)34-27-15-9-4-10-16-27)29(23-26)36-19-21-37(22-20-36)30(24-11-5-2-6-12-24)25-13-7-3-8-14-25;1-27-25(30)21-12-13-22(26)23(18-21)28-14-16-29(17-15-28)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20;1-8-7-5-3-2-4-6-7/h2-18,23,30H,19-22H2,1H3,(H,33,38)(H2,34,35,39);2-13,18,24H,14-17,26H2,1H3,(H,27,30);2-6H,1H2
InChIKeyANYXZNMUEUTPPO-UHFFFAOYSA-N
XLogP11.16
TPSA150.67 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.32
LogP ≤ 511.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-benzhydrylpiperazin-1-yl)-3-[(3,5-dimethylphenyl)carbamoylamino]benzamide
CID 11249599
4-(4-benzhydrylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-3-(methylcarbamoylamino)benzamide
CID 142948719
4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679
3-(4-benzhydrylpiperazin-1-yl)-4-nitrobenzohydrazide
CID 142948725
1-[2-(4-benzhydrylpiperazin-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3-(3,5-dimethylphenyl)urea
CID 11157724
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695
4-(4-benzhydrylpiperidin-1-yl)-3-(phenylcarbamoylamino)benzamide
CID 11420741
1-[2-(4-benzhydrylpiperazin-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3-tert-butylurea
CID 11364931
1-[2-(4-benzhydrylpiperazin-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3-(1-phenylethyl)urea
CID 11204200
N-[[1-[2-amino-5-(phenylcarbamoyl)phenyl]piperidin-4-yl]methyl]-methylboronamidic acid
CID 58056342
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylbenzamide
CID 107452858
4-(4-benzhydrylpiperazin-1-yl)benzene-1,3-diamine
CID 54794978

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine?
The IUPAC name of 4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine (CID 91267522) is 4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine.
What is the SMILES notation for 4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine?
The canonical SMILES for 4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine is C=Nc1ccccc1.CNC(=O)c1ccc(N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1.CNC(=O)c1ccc(NC(=O)Nc2ccccc2)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of 4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine?
The InChIKey is ANYXZNMUEUTPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O2.C25H28N4O.C7H7N/c1-33-31(38)26-17-18-28(35-32(39)34-27-15-9-4-10-16-27)29(23-26)36-19-21-37(22-20-36)30(24-11-5-2-6-12-24)25-13-7-3-8-14-25;1-27-25(30)21-12-13-22(26)23(18-21)28-14-16-29(17-15-28)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20;1-8-7-5-3-2-4-6-7/h2-18,23,30H,19-22H2,1H3,(H,33,38)(H2,34,35,39);2-13,18,24H,14-17,26H2,1H3,(H,27,30);2-6H,1H2.
What are the key properties of 4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine?
4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine has a molecular weight of 1025.32 g/mol, XLogP of 11.16, 13 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-benzhydrylpiperazin-1-yl)-N-methylbenzamide;3-(4-benzhydrylpiperazin-1-yl)-N-methyl-4-(phenylcarbamoylamino)benzamide;N-phenylmethanimine is sourced from PubChem (CID 91267522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).