N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide

C26H29N3O — CID 23108907

IUPACN-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
SMILESCc1ccc(CN2CCN(c3cccc(CNC(=O)c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C26H29N3O/c1-21-10-12-22(13-11-21)20-28-14-16-29(17-15-28)25-9-5-6-23(18-25)19-27-26(30)24-7-3-2-4-8-24/h2-13,18H,14-17,19-20H2,1H3,(H,27,30)
InChIKeyCFNNUFPZAKZJRK-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.25
Rot. Bonds6

About N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide

N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide (PubChem CID 23108907) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
PubChem CID23108907
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC NameN-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
SMILESCc1ccc(CN2CCN(c3cccc(CNC(=O)c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C26H29N3O/c1-21-10-12-22(13-11-21)20-28-14-16-29(17-15-28)25-9-5-6-23(18-25)19-27-26(30)24-7-3-2-4-8-24/h2-13,18H,14-17,19-20H2,1H3,(H,27,30)
InChIKeyCFNNUFPZAKZJRK-UHFFFAOYSA-N
XLogP4.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108735
N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
CID 83288344
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858799
4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858721
N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 42858918
N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
CID 42858908
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46055736
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46043518
N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108860
N-[[3-[4-[(3-chloro-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methyl]-2-methylbenzamide
CID 23108590
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide?
The IUPAC name of N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide (CID 23108907) is N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide is Cc1ccc(CN2CCN(c3cccc(CNC(=O)c4ccccc4)c3)CC2)cc1.
What is the InChIKey of N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide?
The InChIKey is CFNNUFPZAKZJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-21-10-12-22(13-11-21)20-28-14-16-29(17-15-28)25-9-5-6-23(18-25)19-27-26(30)24-7-3-2-4-8-24/h2-13,18H,14-17,19-20H2,1H3,(H,27,30).
What are the key properties of N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide?
N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide has a molecular weight of 399.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 23108907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).