N,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide

C25H33N3O — CID 67573008

IUPACN,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESC=CCN1CCN(c2ccccc2Cc2ccc(C(=O)N(CC)CC)cc2)CC1
InChIInChI=1S/C25H33N3O/c1-4-15-26-16-18-28(19-17-26)24-10-8-7-9-23(24)20-21-11-13-22(14-12-21)25(29)27(5-2)6-3/h4,7-14H,1,5-6,15-20H2,2-3H3
InChIKeyINZCDVOSZNNYOD-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.07
Rot. Bonds8

About N,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide

N,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide (PubChem CID 67573008) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide
PubChem CID67573008
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC NameN,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESC=CCN1CCN(c2ccccc2Cc2ccc(C(=O)N(CC)CC)cc2)CC1
InChIInChI=1S/C25H33N3O/c1-4-15-26-16-18-28(19-17-26)24-10-8-7-9-23(24)20-21-11-13-22(14-12-21)25(29)27(5-2)6-3/h4,7-14H,1,5-6,15-20H2,2-3H3
InChIKeyINZCDVOSZNNYOD-UHFFFAOYSA-N
XLogP4.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-[[1-(4-prop-2-enylpiperazin-1-yl)naphthalen-2-yl]methyl]benzamide
CID 23447951
4-[[2-[(2S,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-3-hydroxyphenyl]methyl]-N,N-diethylbenzamide
CID 70254096
N,N-diethyl-9-(1-prop-2-enylpiperidin-4-ylidene)xanthene-3-carboxamide
CID 66546401
1-[(2-benzylphenyl)methyl]-4-prop-2-enylpiperazine;bis((Z)-but-2-enedioic acid)
CID 20840156
2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride
CID 142636557
N,N-diethyl-11-(1-prop-2-enylpiperidin-4-ylidene)-6H-benzo[c][1]benzoxepine-3-carboxamide
CID 11441441
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide
CID 10549849
N,N-diethyl-4-(3-hydroxy-N-[(3R,4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide
CID 101103653
4-butyl-N,N-diethylbenzamide
CID 60675001
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
CID 108998972
N,N-diethyl-4-[(R)-(4-prop-2-enylpiperazin-1-yl)-[3-(thiophen-2-ylmethylamino)phenyl]methyl]benzamide
CID 10097584

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide (CID 67573008) is N,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide is C=CCN1CCN(c2ccccc2Cc2ccc(C(=O)N(CC)CC)cc2)CC1.
What is the InChIKey of N,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide?
The InChIKey is INZCDVOSZNNYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-4-15-26-16-18-28(19-17-26)24-10-8-7-9-23(24)20-21-11-13-22(14-12-21)25(29)27(5-2)6-3/h4,7-14H,1,5-6,15-20H2,2-3H3.
What are the key properties of N,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide?
N,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide has a molecular weight of 391.56 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(4-prop-2-enylpiperazin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 67573008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).