N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C20H23FN2O4 — CID 136516484

IUPACN-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccoc2)CC1)C(O)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O4/c1-13(18(24)14-2-4-17(21)5-3-14)22-19(25)15-6-9-23(10-7-15)20(26)16-8-11-27-12-16/h2-5,8,11-13,15,18,24H,6-7,9-10H2,1H3,(H,22,25)
InChIKeyWPIFVLBBWQVEPI-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.51
Rot. Bonds5

About N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 136516484) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID136516484
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccoc2)CC1)C(O)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O4/c1-13(18(24)14-2-4-17(21)5-3-14)22-19(25)15-6-9-23(10-7-15)20(26)16-8-11-27-12-16/h2-5,8,11-13,15,18,24H,6-7,9-10H2,1H3,(H,22,25)
InChIKeyWPIFVLBBWQVEPI-UHFFFAOYSA-N
XLogP2.51
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide
CID 134048684
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566755
N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 51113136
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138
1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
CID 4884408
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566682
(2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone
CID 51082686
N-(2,5-dimethylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136576685
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone
CID 99883345

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 136516484) is N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2ccoc2)CC1)C(O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is WPIFVLBBWQVEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-13(18(24)14-2-4-17(21)5-3-14)22-19(25)15-6-9-23(10-7-15)20(26)16-8-11-27-12-16/h2-5,8,11-13,15,18,24H,6-7,9-10H2,1H3,(H,22,25).
What are the key properties of N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 136516484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).