4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide

C30H35N3OS — CID 70683659

IUPAC4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C30H35N3OS/c34-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-18-22-33(23-19-26)29(35)31-27-14-16-28(17-15-27)32-20-8-3-9-21-32/h1-2,4-7,10-17,26,34H,3,8-9,18-23H2,(H,31,35)
InChIKeyGOSUYRHCKMFETA-UHFFFAOYSA-N
MW485.70 g/mol
LogP6.02
Rot. Bonds5

About 4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide

4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide (PubChem CID 70683659) has the molecular formula C30H35N3OS and a molecular weight of 485.70 g/mol. Its IUPAC name is 4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide
PubChem CID70683659
Molecular FormulaC30H35N3OS
Molecular Weight485.70 g/mol
Exact Mass485.25
IUPAC Name4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C30H35N3OS/c34-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-18-22-33(23-19-26)29(35)31-27-14-16-28(17-15-27)32-20-8-3-9-21-32/h1-2,4-7,10-17,26,34H,3,8-9,18-23H2,(H,31,35)
InChIKeyGOSUYRHCKMFETA-UHFFFAOYSA-N
XLogP6.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.70
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide?
The IUPAC name of 4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide (CID 70683659) is 4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide.
What is the SMILES notation for 4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide?
The canonical SMILES for 4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide is OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of 4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide?
The InChIKey is GOSUYRHCKMFETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3OS/c34-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-18-22-33(23-19-26)29(35)31-27-14-16-28(17-15-27)32-20-8-3-9-21-32/h1-2,4-7,10-17,26,34H,3,8-9,18-23H2,(H,31,35).
What are the key properties of 4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide?
4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide has a molecular weight of 485.70 g/mol, XLogP of 6.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide is sourced from PubChem (CID 70683659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).