4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide

C42H44N6O2 — CID 43834011

IUPAC4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C42H44N6O2/c49-41(47-29-25-45(26-30-47)39(33-13-5-1-6-14-33)34-15-7-2-8-16-34)43-37-21-23-38(24-22-37)44-42(50)48-31-27-46(28-32-48)40(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-24,39-40H,25-32H2,(H,43,49)(H,44,50)
InChIKeyLZSGVKKYJAJQQH-UHFFFAOYSA-N
MW664.85 g/mol
LogP7.56
Rot. Bonds8

About 4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide

4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide (PubChem CID 43834011) has the molecular formula C42H44N6O2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
PubChem CID43834011
Molecular FormulaC42H44N6O2
Molecular Weight664.85 g/mol
Exact Mass664.35
IUPAC Name4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C42H44N6O2/c49-41(47-29-25-45(26-30-47)39(33-13-5-1-6-14-33)34-15-7-2-8-16-34)43-37-21-23-38(24-22-37)44-42(50)48-31-27-46(28-32-48)40(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-24,39-40H,25-32H2,(H,43,49)(H,44,50)
InChIKeyLZSGVKKYJAJQQH-UHFFFAOYSA-N
XLogP7.56
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 2933426
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 2822264
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381
4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide
CID 108885798
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide
CID 46100821
4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 46100869
2-(4-benzhydrylpiperazin-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide
CID 44902793
4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2212510

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide (CID 43834011) is 4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide?
The InChIKey is LZSGVKKYJAJQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44N6O2/c49-41(47-29-25-45(26-30-47)39(33-13-5-1-6-14-33)34-15-7-2-8-16-34)43-37-21-23-38(24-22-37)44-42(50)48-31-27-46(28-32-48)40(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-24,39-40H,25-32H2,(H,43,49)(H,44,50).
What are the key properties of 4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide?
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide has a molecular weight of 664.85 g/mol, XLogP of 7.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 43834011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).