N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C27H28FN3O4 — CID 55888074

IUPACN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)ccn2)cc1
InChIInChI=1S/C27H28FN3O4/c1-2-34-23-7-9-24(10-8-23)35-25-17-19(11-14-29-25)18-30-26(32)20-12-15-31(16-13-20)27(33)21-3-5-22(28)6-4-21/h3-11,14,17,20H,2,12-13,15-16,18H2,1H3,(H,30,32)
InChIKeyZFEDAFXBCYIDGJ-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.58
Rot. Bonds8

About N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 55888074) has the molecular formula C27H28FN3O4 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID55888074
Molecular FormulaC27H28FN3O4
Molecular Weight477.54 g/mol
Exact Mass477.21
IUPAC NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)ccn2)cc1
InChIInChI=1S/C27H28FN3O4/c1-2-34-23-7-9-24(10-8-23)35-25-17-19(11-14-29-25)18-30-26(32)20-12-15-31(16-13-20)27(33)21-3-5-22(28)6-4-21/h3-11,14,17,20H,2,12-13,15-16,18H2,1H3,(H,30,32)
InChIKeyZFEDAFXBCYIDGJ-UHFFFAOYSA-N
XLogP4.58
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 39501753
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977242
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
[(3S)-1-(4-ethoxybenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 57453518
ethyl 1-[N-ethyl-N'-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111155978
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47063435
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]morpholine-2-carboxamide
CID 119847525
(2S,5R)-5-(aminomethyl)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120797985
1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide
CID 131891851
2-cyclohexyl-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]acetamide
CID 55887691

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 55888074) is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is CCOc1ccc(Oc2cc(CNC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)ccn2)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is ZFEDAFXBCYIDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O4/c1-2-34-23-7-9-24(10-8-23)35-25-17-19(11-14-29-25)18-30-26(32)20-12-15-31(16-13-20)27(33)21-3-5-22(28)6-4-21/h3-11,14,17,20H,2,12-13,15-16,18H2,1H3,(H,30,32).
What are the key properties of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55888074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).