4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C18H24FN3O2 — CID 86833181

IUPAC4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC2CCc3c(F)cccc32)CC1
InChIInChI=1S/C18H24FN3O2/c1-21(2)18(24)22-10-8-12(9-11-22)17(23)20-16-7-6-13-14(16)4-3-5-15(13)19/h3-5,12,16H,6-11H2,1-2H3,(H,20,23)
InChIKeyPMSITUOUBZIYJC-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.32
Rot. Bonds2

About 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 86833181) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID86833181
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC2CCc3c(F)cccc32)CC1
InChIInChI=1S/C18H24FN3O2/c1-21(2)18(24)22-10-8-12(9-11-22)17(23)20-16-7-6-13-14(16)4-3-5-15(13)19/h3-5,12,16H,6-11H2,1-2H3,(H,20,23)
InChIKeyPMSITUOUBZIYJC-UHFFFAOYSA-N
XLogP2.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 86833181) is 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NC2CCc3c(F)cccc32)CC1.
What is the InChIKey of 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is PMSITUOUBZIYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-21(2)18(24)22-10-8-12(9-11-22)17(23)20-16-7-6-13-14(16)4-3-5-15(13)19/h3-5,12,16H,6-11H2,1-2H3,(H,20,23).
What are the key properties of 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 86833181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).