1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide

C25H26FN3O3 — CID 24817354

IUPAC1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
SMILESCOc1cc(F)ccc1CN1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1
InChIInChI=1S/C25H26FN3O3/c1-31-23-15-20(26)8-7-19(23)17-29-13-11-18(12-14-29)25(30)28-21-9-10-24(27-16-21)32-22-5-3-2-4-6-22/h2-10,15-16,18H,11-14,17H2,1H3,(H,28,30)
InChIKeyUMWGOJZIKKYVDB-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.87
Rot. Bonds7

About 1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide

1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 24817354) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
PubChem CID24817354
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
SMILESCOc1cc(F)ccc1CN1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1
InChIInChI=1S/C25H26FN3O3/c1-31-23-15-20(26)8-7-19(23)17-29-13-11-18(12-14-29)25(30)28-21-9-10-24(27-16-21)32-22-5-3-2-4-6-22/h2-10,15-16,18H,11-14,17H2,1H3,(H,28,30)
InChIKeyUMWGOJZIKKYVDB-UHFFFAOYSA-N
XLogP4.87
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide with MolForge

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Related Compounds

11C-Pbr-28
CID 11653141
N-(2-methoxybenzyl)-N-(4-phenoxypyridin-3-yl)acetamide
CID 9841240
2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
N-(6-fluoro-4-phenoxypyridin-3-yl)-N-(2-methoxybenzyl)acetamide
CID 56671767
4-[3-(4-Trifluoromethyl-phenoxy)-benzyl]-piperazine-1-carboxylic acid pyridin-3-ylamide
CID 52914987
N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
CID 70695162
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[4-[(dimethylamino)methyl]-2-fluorophenyl]urea
CID 68528415
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[2-fluoro-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]phenyl]urea
CID 68529738
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-(2-fluoro-4-morpholin-4-ylphenyl)urea
CID 68531481
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[2-fluoro-4-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]phenyl]urea
CID 68531609

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide (CID 24817354) is 1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide is COc1cc(F)ccc1CN1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1.
What is the InChIKey of 1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is UMWGOJZIKKYVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-31-23-15-20(26)8-7-19(23)17-29-13-11-18(12-14-29)25(30)28-21-9-10-24(27-16-21)32-22-5-3-2-4-6-22/h2-10,15-16,18H,11-14,17H2,1H3,(H,28,30).
What are the key properties of 1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 24817354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).