3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide

C21H25N3OS — CID 1302092

IUPAC3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide
SMILESO=C(CCc1ccccc1)NC(=S)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25N3OS/c25-20(14-9-17-7-3-1-4-8-17)23-21(26)22-18-10-12-19(13-11-18)24-15-5-2-6-16-24/h1,3-4,7-8,10-13H,2,5-6,9,14-16H2,(H2,22,23,25,26)
InChIKeyADMRJELGGYLBFZ-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.12
Rot. Bonds5

About 3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide

3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide (PubChem CID 1302092) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide
PubChem CID1302092
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide
SMILESO=C(CCc1ccccc1)NC(=S)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25N3OS/c25-20(14-9-17-7-3-1-4-8-17)23-21(26)22-18-10-12-19(13-11-18)24-15-5-2-6-16-24/h1,3-4,7-8,10-13H,2,5-6,9,14-16H2,(H2,22,23,25,26)
InChIKeyADMRJELGGYLBFZ-UHFFFAOYSA-N
XLogP4.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.12
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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Related Compounds

N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1302093
4-phenoxy-N-[(4-piperidin-1-ylphenyl)carbamothioyl]butanamide
CID 19188430
3-phenyl-N-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17233671
N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide
CID 916922
N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide
CID 732498
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
3-cyclohexyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]propanamide
CID 17233725
3-phenyl-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 26168674
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-phenylpropanoate
CID 26747020
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1014410
methyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate
CID 4628169
3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide
CID 17067068

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide?
The IUPAC name of 3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide (CID 1302092) is 3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide?
The canonical SMILES for 3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide is O=C(CCc1ccccc1)NC(=S)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide?
The InChIKey is ADMRJELGGYLBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c25-20(14-9-17-7-3-1-4-8-17)23-21(26)22-18-10-12-19(13-11-18)24-15-5-2-6-16-24/h1,3-4,7-8,10-13H,2,5-6,9,14-16H2,(H2,22,23,25,26).
What are the key properties of 3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide?
3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide has a molecular weight of 367.52 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide is sourced from PubChem (CID 1302092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).