6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide

C45H45N3O3 — CID 18338724

IUPAC6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide
SMILESO=C1NC(Cc2ccc(-c3ccccc3)cc2)C(C(=O)NC2CCCCC2)N(C(=O)C(c2ccccc2)c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C45H45N3O3/c49-43-40(31-32-16-6-1-7-17-32)48(45(51)41(36-20-10-3-11-21-36)37-22-12-4-13-23-37)42(44(50)46-38-24-14-5-15-25-38)39(47-43)30-33-26-28-35(29-27-33)34-18-8-2-9-19-34/h1-4,6-13,16-23,26-29,38-42H,5,14-15,24-25,30-31H2,(H,46,50)(H,47,49)
InChIKeyXDJSANQVBFUBDU-UHFFFAOYSA-N
MW675.87 g/mol
LogP7.48
Rot. Bonds10

About 6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide

6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide (PubChem CID 18338724) has the molecular formula C45H45N3O3 and a molecular weight of 675.87 g/mol. Its IUPAC name is 6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide
PubChem CID18338724
Molecular FormulaC45H45N3O3
Molecular Weight675.87 g/mol
Exact Mass675.35
IUPAC Name6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide
SMILESO=C1NC(Cc2ccc(-c3ccccc3)cc2)C(C(=O)NC2CCCCC2)N(C(=O)C(c2ccccc2)c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C45H45N3O3/c49-43-40(31-32-16-6-1-7-17-32)48(45(51)41(36-20-10-3-11-21-36)37-22-12-4-13-23-37)42(44(50)46-38-24-14-5-15-25-38)39(47-43)30-33-26-28-35(29-27-33)34-18-8-2-9-19-34/h1-4,6-13,16-23,26-29,38-42H,5,14-15,24-25,30-31H2,(H,46,50)(H,47,49)
InChIKeyXDJSANQVBFUBDU-UHFFFAOYSA-N
XLogP7.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.87
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 3523242
5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide
CID 90901292
N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
CID 1250894
5-benzyl-N-cyclohexyl-3,6-dioxo-1-(2-phenylethyl)piperazine-2-carboxamide
CID 71162206
2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide
CID 15426216
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
2-(4-benzylpiperidine-1-carbonyl)-N-cycloheptylcyclopropane-1-carboxamide
CID 109139698
N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810389
(2S)-2-benzyl-4-(cyclohexylamino)-4-oxobutanoic acid
CID 829380
N-cyclohexyl-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515269
2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide
CID 15426219
2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide
CID 18338652

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide?
The IUPAC name of 6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide (CID 18338724) is 6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for 6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide?
The canonical SMILES for 6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide is O=C1NC(Cc2ccc(-c3ccccc3)cc2)C(C(=O)NC2CCCCC2)N(C(=O)C(c2ccccc2)c2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide?
The InChIKey is XDJSANQVBFUBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H45N3O3/c49-43-40(31-32-16-6-1-7-17-32)48(45(51)41(36-20-10-3-11-21-36)37-22-12-4-13-23-37)42(44(50)46-38-24-14-5-15-25-38)39(47-43)30-33-26-28-35(29-27-33)34-18-8-2-9-19-34/h1-4,6-13,16-23,26-29,38-42H,5,14-15,24-25,30-31H2,(H,46,50)(H,47,49).
What are the key properties of 6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide?
6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide has a molecular weight of 675.87 g/mol, XLogP of 7.48, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 18338724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).