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

C27H32N4O — CID 23108735

IUPACN-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide
SMILESCN(C)c1ccc(CN2CCN(c3cccc(CNC(=O)c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C27H32N4O/c1-29(2)25-13-11-22(12-14-25)21-30-15-17-31(18-16-30)26-10-6-7-23(19-26)20-28-27(32)24-8-4-3-5-9-24/h3-14,19H,15-18,20-21H2,1-2H3,(H,28,32)
InChIKeyKAMMOJYBKKVTMA-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.00
Rot. Bonds7

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

N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide (PubChem CID 23108735) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide
PubChem CID23108735
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC NameN-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide
SMILESCN(C)c1ccc(CN2CCN(c3cccc(CNC(=O)c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C27H32N4O/c1-29(2)25-13-11-22(12-14-25)21-30-15-17-31(18-16-30)26-10-6-7-23(19-26)20-28-27(32)24-8-4-3-5-9-24/h3-14,19H,15-18,20-21H2,1-2H3,(H,28,32)
InChIKeyKAMMOJYBKKVTMA-UHFFFAOYSA-N
XLogP4.00
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108907
N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108860
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline
CID 110454866
N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 42858918
N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
CID 83288344
N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
CID 42858908
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
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-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
N-[[3-[4-[(3-chloro-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methyl]-2-methylbenzamide
CID 23108590

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide?
The IUPAC name of N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide (CID 23108735) is N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide is CN(C)c1ccc(CN2CCN(c3cccc(CNC(=O)c4ccccc4)c3)CC2)cc1.
What is the InChIKey of N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide?
The InChIKey is KAMMOJYBKKVTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-29(2)25-13-11-22(12-14-25)21-30-15-17-31(18-16-30)26-10-6-7-23(19-26)20-28-27(32)24-8-4-3-5-9-24/h3-14,19H,15-18,20-21H2,1-2H3,(H,28,32).
What are the key properties of N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide?
N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 23108735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).