N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide

C19H21N3OS — CID 732498

IUPACN-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C19H21N3OS/c23-18(15-7-3-1-4-8-15)21-19(24)20-16-9-11-17(12-10-16)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-14H2,(H2,20,21,23,24)
InChIKeyMIFSXDQMULWORC-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.80
Rot. Bonds3

About N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide

N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide (PubChem CID 732498) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide
PubChem CID732498
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C19H21N3OS/c23-18(15-7-3-1-4-8-15)21-19(24)20-16-9-11-17(12-10-16)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-14H2,(H2,20,21,23,24)
InChIKeyMIFSXDQMULWORC-UHFFFAOYSA-N
XLogP3.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.80
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'}

Analyze N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide 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-methyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
CID 21205662
4-methoxy-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
CID 1345130
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-4-tert-butylbenzamide
CID 17115940
3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide
CID 1302092
N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 17100035
N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-bromobenzamide
CID 17317366
4-phenoxy-N-[(4-piperidin-1-ylphenyl)carbamothioyl]butanamide
CID 19188430
N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-methylbenzamide
CID 6985411
2,2-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]propanamide
CID 17099800

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide (CID 732498) is N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The InChIKey is MIFSXDQMULWORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c23-18(15-7-3-1-4-8-15)21-19(24)20-16-9-11-17(12-10-16)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-14H2,(H2,20,21,23,24).
What are the key properties of N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide?
N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide has a molecular weight of 339.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 732498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).