1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide

C17H19N3OS — CID 2947328

IUPAC1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=S)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H19N3OS/c18-16(21)13-7-4-10-20(11-13)17(22)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H2,18,21)(H,19,22)
InChIKeyUHNBDHKSCJWKKS-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.73
Rot. Bonds2

About 1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide

1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide (PubChem CID 2947328) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide
PubChem CID2947328
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=S)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H19N3OS/c18-16(21)13-7-4-10-20(11-13)17(22)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H2,18,21)(H,19,22)
InChIKeyUHNBDHKSCJWKKS-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide?
The IUPAC name of 1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide (CID 2947328) is 1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=S)Nc2cccc3ccccc23)C1.
What is the InChIKey of 1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide?
The InChIKey is UHNBDHKSCJWKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c18-16(21)13-7-4-10-20(11-13)17(22)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H2,18,21)(H,19,22).
What are the key properties of 1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide?
1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylcarbamothioyl)piperidine-3-carboxamide is sourced from PubChem (CID 2947328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).