1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

C24H24FN3O2 — CID 24790888

IUPAC1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C24H24FN3O2/c25-23-6-2-1-4-19(23)17-28-14-11-18(12-15-28)24(29)27-20-7-9-21(10-8-20)30-22-5-3-13-26-16-22/h1-10,13,16,18H,11-12,14-15,17H2,(H,27,29)
InChIKeyJKXZDNXNWDQBHT-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.86
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 24790888) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
PubChem CID24790888
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C24H24FN3O2/c25-23-6-2-1-4-19(23)17-28-14-11-18(12-15-28)24(29)27-20-7-9-21(10-8-20)30-22-5-3-13-26-16-22/h1-10,13,16,18H,11-12,14-15,17H2,(H,27,29)
InChIKeyJKXZDNXNWDQBHT-UHFFFAOYSA-N
XLogP4.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Asp-8477
CID 15950844
Benzamide, N-[4-chloro-3-[(3-pyridinyloxy)methyl]phenyl]-3-fluoro-5-(4-morpholinyl)-
CID 656950
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
N-[3-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 72712050
1-(4-methoxybenzyl)-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24790246
(2S)-1-(benzyloxy)-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propan-2-amine
CID 10309109
7-[5-(4-Fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71453627
N1-[2-(2-fluorophenoxy)-3-pyridyl]-3-phenylacrylamide
CID 5712983
N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 72712049
N-[3-[(2-fluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 72712051
N-[3-[(3,5-difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 72712053
(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-pyridin-3-yloxyphenyl)ethyl]prop-2-enamide
CID 9950848

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (CID 24790888) is 1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is JKXZDNXNWDQBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-23-6-2-1-4-19(23)17-28-14-11-18(12-15-28)24(29)27-20-7-9-21(10-8-20)30-22-5-3-13-26-16-22/h1-10,13,16,18H,11-12,14-15,17H2,(H,27,29).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24790888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).