4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide

C24H29N3OS — CID 3754158

IUPAC4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide
SMILESO=C(C1CCCCC1)N1CCN(C(=S)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C24H29N3OS/c28-23(20-11-5-2-6-12-20)26-15-17-27(18-16-26)24(29)25-22-14-8-7-13-21(22)19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2,(H,25,29)
InChIKeyOBBIUHCJENIYCI-UHFFFAOYSA-N
MW407.58 g/mol
LogP4.77
Rot. Bonds3

About 4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide

4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide (PubChem CID 3754158) has the molecular formula C24H29N3OS and a molecular weight of 407.58 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide
PubChem CID3754158
Molecular FormulaC24H29N3OS
Molecular Weight407.58 g/mol
Exact Mass407.20
IUPAC Name4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide
SMILESO=C(C1CCCCC1)N1CCN(C(=S)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C24H29N3OS/c28-23(20-11-5-2-6-12-20)26-15-17-27(18-16-26)24(29)25-22-14-8-7-13-21(22)19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2,(H,25,29)
InChIKeyOBBIUHCJENIYCI-UHFFFAOYSA-N
XLogP4.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide 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

1-(cyclohexanecarbonyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 113006064
4-(2-cyanophenyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide
CID 5187936
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide
CID 74243293
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
N-(2-phenylphenyl)piperidine-2-carboxamide
CID 18072559
[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate
CID 8019936
(3R)-3-phenyl-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 1433497
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3R)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338002
(3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338001

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide?
The IUPAC name of 4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide (CID 3754158) is 4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide?
The canonical SMILES for 4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide is O=C(C1CCCCC1)N1CCN(C(=S)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide?
The InChIKey is OBBIUHCJENIYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3OS/c28-23(20-11-5-2-6-12-20)26-15-17-27(18-16-26)24(29)25-22-14-8-7-13-21(22)19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2,(H,25,29).
What are the key properties of 4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide?
4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide has a molecular weight of 407.58 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide is sourced from PubChem (CID 3754158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).