4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide

C17H22F2N2O2 — CID 23071838

IUPAC4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)N1CCC(O)(C2CCCC2)CC1
InChIInChI=1S/C17H22F2N2O2/c18-13-9-14(19)11-15(10-13)20-16(22)21-7-5-17(23,6-8-21)12-3-1-2-4-12/h9-12,23H,1-8H2,(H,20,22)
InChIKeyHIFGGAGDLFNKHB-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.51
Rot. Bonds2

About 4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide

4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 23071838) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide
PubChem CID23071838
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)N1CCC(O)(C2CCCC2)CC1
InChIInChI=1S/C17H22F2N2O2/c18-13-9-14(19)11-15(10-13)20-16(22)21-7-5-17(23,6-8-21)12-3-1-2-4-12/h9-12,23H,1-8H2,(H,20,22)
InChIKeyHIFGGAGDLFNKHB-UHFFFAOYSA-N
XLogP3.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide (CID 23071838) is 4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide is O=C(Nc1cc(F)cc(F)c1)N1CCC(O)(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is HIFGGAGDLFNKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c18-13-9-14(19)11-15(10-13)20-16(22)21-7-5-17(23,6-8-21)12-3-1-2-4-12/h9-12,23H,1-8H2,(H,20,22).
What are the key properties of 4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide?
4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(3,5-difluorophenyl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 23071838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).