3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide

C35H39N3O — CID 90761877

IUPAC3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(CN2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1)c1ccccc1
InChIInChI=1S/C35H39N3O/c1-28(30-13-5-2-6-14-30)36-35(39)33-19-11-12-29(26-33)27-38-24-22-37(23-25-38)21-20-34(31-15-7-3-8-16-31)32-17-9-4-10-18-32/h2-19,26,28,34H,20-25,27H2,1H3,(H,36,39)
InChIKeyJBJSLNUEMGTSON-UHFFFAOYSA-N
MW517.72 g/mol
LogP6.52
Rot. Bonds10

About 3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide

3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide (PubChem CID 90761877) has the molecular formula C35H39N3O and a molecular weight of 517.72 g/mol. Its IUPAC name is 3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
PubChem CID90761877
Molecular FormulaC35H39N3O
Molecular Weight517.72 g/mol
Exact Mass517.31
IUPAC Name3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(CN2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1)c1ccccc1
InChIInChI=1S/C35H39N3O/c1-28(30-13-5-2-6-14-30)36-35(39)33-19-11-12-29(26-33)27-38-24-22-37(23-25-38)21-20-34(31-15-7-3-8-16-31)32-17-9-4-10-18-32/h2-19,26,28,34H,20-25,27H2,1H3,(H,36,39)
InChIKeyJBJSLNUEMGTSON-UHFFFAOYSA-N
XLogP6.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.72
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide
CID 91479022
3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
CID 42858745
2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]propanoic acid
CID 82043303
N-benzhydryl-3-(morpholin-4-ylmethyl)benzamide
CID 43908479
3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 107863937
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925854
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(1S)-1-(4-bromophenyl)ethyl]benzamide
CID 93472982
3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide
CID 109053638
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-3-(morpholin-4-ylmethyl)benzamide
CID 125043990
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 43924692
N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119497673

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide (CID 90761877) is 3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc(CN2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1)c1ccccc1.
What is the InChIKey of 3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide?
The InChIKey is JBJSLNUEMGTSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N3O/c1-28(30-13-5-2-6-14-30)36-35(39)33-19-11-12-29(26-33)27-38-24-22-37(23-25-38)21-20-34(31-15-7-3-8-16-31)32-17-9-4-10-18-32/h2-19,26,28,34H,20-25,27H2,1H3,(H,36,39).
What are the key properties of 3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide?
3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide has a molecular weight of 517.72 g/mol, XLogP of 6.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 90761877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).