N-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide

C25H25FN2O4 — CID 42227287

IUPACN-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C25H25FN2O4/c26-20-8-6-19(7-9-20)16-31-24-17-32-23(14-22(24)29)25(30)27-21-10-12-28(13-11-21)15-18-4-2-1-3-5-18/h1-9,14,17,21H,10-13,15-16H2,(H,27,30)
InChIKeyMBMASPLQENPFHD-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.75
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide

N-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide (PubChem CID 42227287) has the molecular formula C25H25FN2O4 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
PubChem CID42227287
Molecular FormulaC25H25FN2O4
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C25H25FN2O4/c26-20-8-6-19(7-9-20)16-31-24-17-32-23(14-22(24)29)25(30)27-21-10-12-28(13-11-21)15-18-4-2-1-3-5-18/h1-9,14,17,21H,10-13,15-16H2,(H,27,30)
InChIKeyMBMASPLQENPFHD-UHFFFAOYSA-N
XLogP3.75
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11834429
N-Benzyl-3-benzyloxy-2-pyridone
CID 90335
N-(1-benzylpiperidin-4-yl)-2-phenoxyacetamide
CID 854438
N-[(3S)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 45115596
N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 45115601
2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one
CID 7293049
3,4-difluoro-N-(3-(2-phenylmorpholino)propyl)benzamide
CID 16892552
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CID 16893037
N1-(4-fluorobenzyl)-N2-(2-oxo-2-(2-phenylmorpholino)ethyl)oxalamide
CID 16894937
N-[1-(2-fluorobenzyl)-3-piperidinyl]-2-phenoxyacetamide
CID 24816853
(R)-4-(3-{[(p-fluorophenyl)methyl]carbamoylcarbonylamino}propyl)-2-phenylmorpholine
CID 27557780
N-(2-(cyclohex-1-en-1-yl)ethyl)-5-((4-fluorobenzyl)oxy)-4-oxo-4H-pyran-2-carboxamide
CID 42227189

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide (CID 42227287) is N-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c(OCc2ccc(F)cc2)co1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The InChIKey is MBMASPLQENPFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O4/c26-20-8-6-19(7-9-20)16-31-24-17-32-23(14-22(24)29)25(30)27-21-10-12-28(13-11-21)15-18-4-2-1-3-5-18/h1-9,14,17,21H,10-13,15-16H2,(H,27,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 42227287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).