4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C17H23F2N3O2 — CID 60610429

IUPAC4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCCc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C17H23F2N3O2/c1-21(2)17(24)22-7-4-13(5-8-22)16(23)20-6-3-12-9-14(18)11-15(19)10-12/h9-11,13H,3-8H2,1-2H3,(H,20,23)
InChIKeyUONTVKHVGOBLIA-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.02
Rot. Bonds4

About 4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 60610429) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID60610429
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCCc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C17H23F2N3O2/c1-21(2)17(24)22-7-4-13(5-8-22)16(23)20-6-3-12-9-14(18)11-15(19)10-12/h9-11,13H,3-8H2,1-2H3,(H,20,23)
InChIKeyUONTVKHVGOBLIA-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119548200
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32796393
4-N-(2-methoxyethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 3543766
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739949
methyl 1-[N-[2-(3,5-difluorophenyl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253565
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
CID 60778061
4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 113466075
4-(3,5-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202832
1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 110795075
3-N-[3-(4-fluorophenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74249959
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
CID 43623309
1-N,1-N-dimethyl-4-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1,4-dicarboxamide
CID 55761983

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 60610429) is 4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NCCc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is UONTVKHVGOBLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-21(2)17(24)22-7-4-13(5-8-22)16(23)20-6-3-12-9-14(18)11-15(19)10-12/h9-11,13H,3-8H2,1-2H3,(H,20,23).
What are the key properties of 4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 60610429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).