1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide

C20H24FN3O2 — CID 167920490

IUPAC1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCCOCc1ccc(-c2ccc(N3CCC(C(N)=O)CC3)nc2)cc1F
InChIInChI=1S/C20H24FN3O2/c1-2-26-13-17-4-3-15(11-18(17)21)16-5-6-19(23-12-16)24-9-7-14(8-10-24)20(22)25/h3-6,11-12,14H,2,7-10,13H2,1H3,(H2,22,25)
InChIKeyUPNQQFDOWHTJRO-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.13
Rot. Bonds6

About 1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide

1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 167920490) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID167920490
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCCOCc1ccc(-c2ccc(N3CCC(C(N)=O)CC3)nc2)cc1F
InChIInChI=1S/C20H24FN3O2/c1-2-26-13-17-4-3-15(11-18(17)21)16-5-6-19(23-12-16)24-9-7-14(8-10-24)20(22)25/h3-6,11-12,14H,2,7-10,13H2,1H3,(H2,22,25)
InChIKeyUPNQQFDOWHTJRO-UHFFFAOYSA-N
XLogP3.13
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 83265690
ethyl 2-[1-[5-(3-chloro-4-formylphenyl)-2-pyridinyl]piperidin-4-yl]acetate
CID 88602190
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
1-[[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 53162619
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 80631598
5-[4-[[(1R,2R)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]-3-fluorophenyl]pyrimidin-2-amine
CID 71136858
ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170891147
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24657763
(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate
CID 58032759
1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 86795906
(3R)-1-[5-(diethylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 94434130
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691180

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide (CID 167920490) is 1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide is CCOCc1ccc(-c2ccc(N3CCC(C(N)=O)CC3)nc2)cc1F.
What is the InChIKey of 1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is UPNQQFDOWHTJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-2-26-13-17-4-3-15(11-18(17)21)16-5-6-19(23-12-16)24-9-7-14(8-10-24)20(22)25/h3-6,11-12,14H,2,7-10,13H2,1H3,(H2,22,25).
What are the key properties of 1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(ethoxymethyl)-3-fluorophenyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 167920490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).