1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide

C26H25FN2O4 — CID 42454778

IUPAC1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(Cc2cccc3c2OCO3)CC1
InChIInChI=1S/C26H25FN2O4/c27-22-5-1-2-6-23(22)33-21-10-8-20(9-11-21)28-26(30)18-12-14-29(15-13-18)16-19-4-3-7-24-25(19)32-17-31-24/h1-11,18H,12-17H2,(H,28,30)
InChIKeyWHUIEVCFABNJSV-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.20
Rot. Bonds6

About 1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide

1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide (PubChem CID 42454778) has the molecular formula C26H25FN2O4 and a molecular weight of 448.49 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
PubChem CID42454778
Molecular FormulaC26H25FN2O4
Molecular Weight448.49 g/mol
Exact Mass448.18
IUPAC Name1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(Cc2cccc3c2OCO3)CC1
InChIInChI=1S/C26H25FN2O4/c27-22-5-1-2-6-23(22)33-21-10-8-20(9-11-21)28-26(30)18-12-14-29(15-13-18)16-19-4-3-7-24-25(19)32-17-31-24/h1-11,18H,12-17H2,(H,28,30)
InChIKeyWHUIEVCFABNJSV-UHFFFAOYSA-N
XLogP5.20
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 26322313
1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 45016319
N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42120451
N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46775304
1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
CID 42244589
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 100683953
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51128933
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide
CID 133138136
N-[4-(cyanomethyl)phenyl]-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007227
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide (CID 42454778) is 1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(Cc2cccc3c2OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is WHUIEVCFABNJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4/c27-22-5-1-2-6-23(22)33-21-10-8-20(9-11-21)28-26(30)18-12-14-29(15-13-18)16-19-4-3-7-24-25(19)32-17-31-24/h1-11,18H,12-17H2,(H,28,30).
What are the key properties of 1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 42454778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).