N-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide

C39H45N3O — CID 22180248

IUPACN-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide
SMILESCc1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C39H45N3O/c1-31-22-23-36(28-37(31)39(43)42(35-20-12-5-13-21-35)29-32-14-6-2-7-15-32)41-26-24-40(25-27-41)30-38(33-16-8-3-9-17-33)34-18-10-4-11-19-34/h2-4,6-11,14-19,22-23,28,35,38H,5,12-13,20-21,24-27,29-30H2,1H3
InChIKeyPNWOZDFXJYDRCS-UHFFFAOYSA-N
MW571.81 g/mol
LogP7.92
Rot. Bonds9

About N-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide

N-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide (PubChem CID 22180248) has the molecular formula C39H45N3O and a molecular weight of 571.81 g/mol. Its IUPAC name is N-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide
PubChem CID22180248
Molecular FormulaC39H45N3O
Molecular Weight571.81 g/mol
Exact Mass571.36
IUPAC NameN-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide
SMILESCc1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C39H45N3O/c1-31-22-23-36(28-37(31)39(43)42(35-20-12-5-13-21-35)29-32-14-6-2-7-15-32)41-26-24-40(25-27-41)30-38(33-16-8-3-9-17-33)34-18-10-4-11-19-34/h2-4,6-11,14-19,22-23,28,35,38H,5,12-13,20-21,24-27,29-30H2,1H3
InChIKeyPNWOZDFXJYDRCS-UHFFFAOYSA-N
XLogP7.92
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.81
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-N-propan-2-ylbenzamide
CID 22180258
N-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide
CID 22180270
N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide
CID 42702953
N-benzyl-N-butyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzamide
CID 22180178
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
1-(2,2-diphenylethyl)-4-(4-fluorophenyl)piperazine
CID 1376189
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
CID 63999824
N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide
CID 171676502
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylbenzamide
CID 40561453
N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 136521924
N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 86868293

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide?
The IUPAC name of N-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide (CID 22180248) is N-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide.
What is the SMILES notation for N-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide?
The canonical SMILES for N-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide is Cc1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide?
The InChIKey is PNWOZDFXJYDRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45N3O/c1-31-22-23-36(28-37(31)39(43)42(35-20-12-5-13-21-35)29-32-14-6-2-7-15-32)41-26-24-40(25-27-41)30-38(33-16-8-3-9-17-33)34-18-10-4-11-19-34/h2-4,6-11,14-19,22-23,28,35,38H,5,12-13,20-21,24-27,29-30H2,1H3.
What are the key properties of N-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide?
N-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide has a molecular weight of 571.81 g/mol, XLogP of 7.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclohexyl-5-[4-(2,2-diphenylethyl)piperazin-1-yl]-2-methylbenzamide is sourced from PubChem (CID 22180248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).