1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide

C16H20Cl2N2O2S — CID 6462495

IUPAC1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCSCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N2O2S/c17-13-2-1-11(9-14(13)18)10-23-8-5-15(21)20-6-3-12(4-7-20)16(19)22/h1-2,9,12H,3-8,10H2,(H2,19,22)
InChIKeyLGKPCRQFDJVHED-UHFFFAOYSA-N
MW375.32 g/mol
LogP3.34
Rot. Bonds6

About 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide

1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide (PubChem CID 6462495) has the molecular formula C16H20Cl2N2O2S and a molecular weight of 375.32 g/mol. Its IUPAC name is 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide
PubChem CID6462495
Molecular FormulaC16H20Cl2N2O2S
Molecular Weight375.32 g/mol
Exact Mass374.06
IUPAC Name1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCSCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N2O2S/c17-13-2-1-11(9-14(13)18)10-23-8-5-15(21)20-6-3-12(4-7-20)16(19)22/h1-2,9,12H,3-8,10H2,(H2,19,22)
InChIKeyLGKPCRQFDJVHED-UHFFFAOYSA-N
XLogP3.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide 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

CID 875589
CID 875589
CID 882512
CID 882512
CID 11551598
CID 11551598
CID 11566071
CID 11566071
CID 11616836
CID 11616836
CID 44398452
CID 44398452
CID 1478962
CID 1478962
CID 4083155
CID 4083155
CID 654242
CID 654242
CID 16383241
CID 16383241
CID 56814640
CID 56814640
CID 15730161
CID 15730161

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide (CID 6462495) is 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCSCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide?
The InChIKey is LGKPCRQFDJVHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2S/c17-13-2-1-11(9-14(13)18)10-23-8-5-15(21)20-6-3-12(4-7-20)16(19)22/h1-2,9,12H,3-8,10H2,(H2,19,22).
What are the key properties of 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide?
1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide has a molecular weight of 375.32 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 6462495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).