4-phenyl-N-(piperidine-1-carbothioyl)benzamide

C19H20N2OS — CID 932770

IUPAC4-phenyl-N-(piperidine-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20N2OS/c22-18(20-19(23)21-13-5-2-6-14-21)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2,(H,20,22,23)
InChIKeyMHMWMWJRZDWBRX-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.85
Rot. Bonds2

About 4-phenyl-N-(piperidine-1-carbothioyl)benzamide

4-phenyl-N-(piperidine-1-carbothioyl)benzamide (PubChem CID 932770) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-phenyl-N-(piperidine-1-carbothioyl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(piperidine-1-carbothioyl)benzamide
PubChem CID932770
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name4-phenyl-N-(piperidine-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20N2OS/c22-18(20-19(23)21-13-5-2-6-14-21)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2,(H,20,22,23)
InChIKeyMHMWMWJRZDWBRX-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide
CID 974369
N-(azepane-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
CID 4953016
N-(azepane-1-carbothioyl)-4-(2-phenylethoxy)benzamide
CID 4956874
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 833404
4-ethoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 4948914
1-[(4-methylbenzoyl)carbamothioyl]piperidine-4-carboxylic acid
CID 91687694
N-(azepane-1-carbothioyl)-4-heptoxybenzamide
CID 4950908
N-(azepane-1-carbothioyl)-4-(3-methylbutoxy)benzamide
CID 4949027
methyl 3-(pyrrolidine-1-carbothioylcarbamoyl)benzoate
CID 17175572
3-iodo-4-methoxy-N-(piperidine-1-carbothioyl)benzamide
CID 4633502
1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 1322238
(2-oxo-2-piperidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 8921487

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(piperidine-1-carbothioyl)benzamide?
The IUPAC name of 4-phenyl-N-(piperidine-1-carbothioyl)benzamide (CID 932770) is 4-phenyl-N-(piperidine-1-carbothioyl)benzamide.
What is the SMILES notation for 4-phenyl-N-(piperidine-1-carbothioyl)benzamide?
The canonical SMILES for 4-phenyl-N-(piperidine-1-carbothioyl)benzamide is O=C(NC(=S)N1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(piperidine-1-carbothioyl)benzamide?
The InChIKey is MHMWMWJRZDWBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c22-18(20-19(23)21-13-5-2-6-14-21)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2,(H,20,22,23).
What are the key properties of 4-phenyl-N-(piperidine-1-carbothioyl)benzamide?
4-phenyl-N-(piperidine-1-carbothioyl)benzamide has a molecular weight of 324.45 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(piperidine-1-carbothioyl)benzamide is sourced from PubChem (CID 932770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).