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

C34H37N3O — CID 91479022

IUPACN-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(CN2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C34H37N3O/c38-34(35-26-28-11-4-1-5-12-28)32-18-10-13-29(25-32)27-37-23-21-36(22-24-37)20-19-33(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-18,25,33H,19-24,26-27H2,(H,35,38)
InChIKeyZOUQGMHLSANXMV-UHFFFAOYSA-N
MW503.69 g/mol
LogP5.96
Rot. Bonds10

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

N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide (PubChem CID 91479022) has the molecular formula C34H37N3O and a molecular weight of 503.69 g/mol. Its IUPAC name is N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide
PubChem CID91479022
Molecular FormulaC34H37N3O
Molecular Weight503.69 g/mol
Exact Mass503.29
IUPAC NameN-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(CN2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C34H37N3O/c38-34(35-26-28-11-4-1-5-12-28)32-18-10-13-29(25-32)27-37-23-21-36(22-24-37)20-19-33(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-18,25,33H,19-24,26-27H2,(H,35,38)
InChIKeyZOUQGMHLSANXMV-UHFFFAOYSA-N
XLogP5.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
CID 90761877
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
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
N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119497673
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858807
N-(2-amino-2-phenylethyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;dihydrochloride
CID 119529003
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 43921921
N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide
CID 10186514
N-benzhydryl-3-(morpholin-4-ylmethyl)benzamide
CID 43908479
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 43917996

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide (CID 91479022) is N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide is O=C(NCc1ccccc1)c1cccc(CN2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is ZOUQGMHLSANXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O/c38-34(35-26-28-11-4-1-5-12-28)32-18-10-13-29(25-32)27-37-23-21-36(22-24-37)20-19-33(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-18,25,33H,19-24,26-27H2,(H,35,38).
What are the key properties of N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide?
N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 503.69 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 91479022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).