6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide

C21H23FN2O2 — CID 11703121

IUPAC6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NC1CCNCC1c1ccccc1)C1CCOc2ccc(F)cc21
InChIInChI=1S/C21H23FN2O2/c22-15-6-7-20-17(12-15)16(9-11-26-20)21(25)24-19-8-10-23-13-18(19)14-4-2-1-3-5-14/h1-7,12,16,18-19,23H,8-11,13H2,(H,24,25)
InChIKeySDRIPRXZRMLVAS-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.95
Rot. Bonds3

About 6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide

6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 11703121) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID11703121
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NC1CCNCC1c1ccccc1)C1CCOc2ccc(F)cc21
InChIInChI=1S/C21H23FN2O2/c22-15-6-7-20-17(12-15)16(9-11-26-20)21(25)24-19-8-10-23-13-18(19)14-4-2-1-3-5-14/h1-7,12,16,18-19,23H,8-11,13H2,(H,24,25)
InChIKeySDRIPRXZRMLVAS-UHFFFAOYSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of 6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 11703121) is 6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide is O=C(NC1CCNCC1c1ccccc1)C1CCOc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is SDRIPRXZRMLVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-15-6-7-20-17(12-15)16(9-11-26-20)21(25)24-19-8-10-23-13-18(19)14-4-2-1-3-5-14/h1-7,12,16,18-19,23H,8-11,13H2,(H,24,25).
What are the key properties of 6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-phenylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 11703121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).