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

C37H43N3O — CID 22180178

IUPACN-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide
SMILESCCCCN(Cc1ccccc1)C(=O)c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C37H43N3O/c1-2-3-23-40(30-31-14-7-4-8-15-31)37(41)34-20-13-21-35(29-34)39-27-25-38(26-28-39)24-22-36(32-16-9-5-10-17-32)33-18-11-6-12-19-33/h4-21,29,36H,2-3,22-28,30H2,1H3
InChIKeyHQMXIZSGBJTYKR-UHFFFAOYSA-N
MW545.77 g/mol
LogP7.47
Rot. Bonds12

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

N-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide (PubChem CID 22180178) has the molecular formula C37H43N3O and a molecular weight of 545.77 g/mol. Its IUPAC name is N-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide
PubChem CID22180178
Molecular FormulaC37H43N3O
Molecular Weight545.77 g/mol
Exact Mass545.34
IUPAC NameN-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide
SMILESCCCCN(Cc1ccccc1)C(=O)c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C37H43N3O/c1-2-3-23-40(30-31-14-7-4-8-15-31)37(41)34-20-13-21-35(29-34)39-27-25-38(26-28-39)24-22-36(32-16-9-5-10-17-32)33-18-11-6-12-19-33/h4-21,29,36H,2-3,22-28,30H2,1H3
InChIKeyHQMXIZSGBJTYKR-UHFFFAOYSA-N
XLogP7.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.77
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide
CID 22180270
N-benzyl-5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-N-propan-2-ylbenzamide
CID 22180258
3-[4-[3,3-bis(4-chlorophenyl)propyl]piperazin-1-yl]-N-cyclohexyl-N-propan-2-ylbenzamide
CID 22180235
N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 109022884
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide
CID 18381967
2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride
CID 142749388
N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide
CID 173193948
N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide
CID 91479022
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride
CID 120648211
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butyl-3-methoxybenzamide
CID 4042213

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide?
The IUPAC name of N-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide (CID 22180178) is N-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide.
What is the SMILES notation for N-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide?
The canonical SMILES for N-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide is CCCCN(Cc1ccccc1)C(=O)c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide?
The InChIKey is HQMXIZSGBJTYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N3O/c1-2-3-23-40(30-31-14-7-4-8-15-31)37(41)34-20-13-21-35(29-34)39-27-25-38(26-28-39)24-22-36(32-16-9-5-10-17-32)33-18-11-6-12-19-33/h4-21,29,36H,2-3,22-28,30H2,1H3.
What are the key properties of N-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide?
N-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide has a molecular weight of 545.77 g/mol, XLogP of 7.47, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 22180178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).