N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide

C29H34N4O — CID 23108860

IUPACN-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide
SMILESCN(C)c1ccc(/C=C/CN2CCN(c3cccc(CNC(=O)c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C29H34N4O/c1-31(2)27-15-13-24(14-16-27)9-7-17-32-18-20-33(21-19-32)28-12-6-8-25(22-28)23-30-29(34)26-10-4-3-5-11-26/h3-16,22H,17-21,23H2,1-2H3,(H,30,34)/b9-7+
InChIKeyDAVZHZDFTBAZSY-VQHVLOKHSA-N
MW454.62 g/mol
LogP4.52
Rot. Bonds8

About N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide

N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide (PubChem CID 23108860) has the molecular formula C29H34N4O and a molecular weight of 454.62 g/mol. Its IUPAC name is N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide
PubChem CID23108860
Molecular FormulaC29H34N4O
Molecular Weight454.62 g/mol
Exact Mass454.27
IUPAC NameN-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide
SMILESCN(C)c1ccc(/C=C/CN2CCN(c3cccc(CNC(=O)c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C29H34N4O/c1-31(2)27-15-13-24(14-16-27)9-7-17-32-18-20-33(21-19-32)28-12-6-8-25(22-28)23-30-29(34)26-10-4-3-5-11-26/h3-16,22H,17-21,23H2,1-2H3,(H,30,34)/b9-7+
InChIKeyDAVZHZDFTBAZSY-VQHVLOKHSA-N
XLogP4.52
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108735
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108907
N-[[8-[3-[4-(dimethylamino)phenyl]prop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 75099032
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
[3-(dimethylamino)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6213753
N-[(3-methylphenyl)methyl]-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108945570
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide
CID 109207136
N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline
CID 30981978
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523
methyl 3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzoate
CID 8544540

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide?
The IUPAC name of N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide (CID 23108860) is N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide is CN(C)c1ccc(/C=C/CN2CCN(c3cccc(CNC(=O)c4ccccc4)c3)CC2)cc1.
What is the InChIKey of N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide?
The InChIKey is DAVZHZDFTBAZSY-VQHVLOKHSA-N. The full InChI is InChI=1S/C29H34N4O/c1-31(2)27-15-13-24(14-16-27)9-7-17-32-18-20-33(21-19-32)28-12-6-8-25(22-28)23-30-29(34)26-10-4-3-5-11-26/h3-16,22H,17-21,23H2,1-2H3,(H,30,34)/b9-7+.
What are the key properties of N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide?
N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide has a molecular weight of 454.62 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 23108860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).