1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide

C16H20FN3O2 — CID 56819402

IUPAC1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NC2CCc3cc(F)ccc32)CC1
InChIInChI=1S/C16H20FN3O2/c17-12-2-3-13-11(9-12)1-4-14(13)19-16(22)20-7-5-10(6-8-20)15(18)21/h2-3,9-10,14H,1,4-8H2,(H2,18,21)(H,19,22)
InChIKeyWXIACWUGRNEVQX-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.72
Rot. Bonds2

About 1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide

1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide (PubChem CID 56819402) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
PubChem CID56819402
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NC2CCc3cc(F)ccc32)CC1
InChIInChI=1S/C16H20FN3O2/c17-12-2-3-13-11(9-12)1-4-14(13)19-16(22)20-7-5-10(6-8-20)15(18)21/h2-3,9-10,14H,1,4-8H2,(H2,18,21)(H,19,22)
InChIKeyWXIACWUGRNEVQX-UHFFFAOYSA-N
XLogP1.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide (CID 56819402) is 1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)NC2CCc3cc(F)ccc32)CC1.
What is the InChIKey of 1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide?
The InChIKey is WXIACWUGRNEVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c17-12-2-3-13-11(9-12)1-4-14(13)19-16(22)20-7-5-10(6-8-20)15(18)21/h2-3,9-10,14H,1,4-8H2,(H2,18,21)(H,19,22).
What are the key properties of 1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide?
1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide has a molecular weight of 305.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56819402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).