4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C19H28FN3O2S — CID 74233436

IUPAC4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCCCSCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O2S/c1-22(2)19(25)23-11-8-16(9-12-23)18(24)21-10-3-13-26-14-15-4-6-17(20)7-5-15/h4-7,16H,3,8-14H2,1-2H3,(H,21,24)
InChIKeyWFOGYEPZVXPIOV-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.96
Rot. Bonds7

About 4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 74233436) has the molecular formula C19H28FN3O2S and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID74233436
Molecular FormulaC19H28FN3O2S
Molecular Weight381.52 g/mol
Exact Mass381.19
IUPAC Name4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCCCSCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O2S/c1-22(2)19(25)23-11-8-16(9-12-23)18(24)21-10-3-13-26-14-15-4-6-17(20)7-5-15/h4-7,16H,3,8-14H2,1-2H3,(H,21,24)
InChIKeyWFOGYEPZVXPIOV-UHFFFAOYSA-N
XLogP2.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 74233436) is 4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NCCCSCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is WFOGYEPZVXPIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2S/c1-22(2)19(25)23-11-8-16(9-12-23)18(24)21-10-3-13-26-14-15-4-6-17(20)7-5-15/h4-7,16H,3,8-14H2,1-2H3,(H,21,24).
What are the key properties of 4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 74233436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).