2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone

C25H32FN3O2 — CID 170732205

IUPAC2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
SMILESCCN1CCC(CC(=O)N2CCOC(c3ccc(Cc4ccc(F)cc4)cn3)C2)CC1
InChIInChI=1S/C25H32FN3O2/c1-2-28-11-9-20(10-12-28)16-25(30)29-13-14-31-24(18-29)23-8-5-21(17-27-23)15-19-3-6-22(26)7-4-19/h3-8,17,20,24H,2,9-16,18H2,1H3
InChIKeyMEBJYBWJNOWIAO-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.83
Rot. Bonds6

About 2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone

2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone (PubChem CID 170732205) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
PubChem CID170732205
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
SMILESCCN1CCC(CC(=O)N2CCOC(c3ccc(Cc4ccc(F)cc4)cn3)C2)CC1
InChIInChI=1S/C25H32FN3O2/c1-2-28-11-9-20(10-12-28)16-25(30)29-13-14-31-24(18-29)23-8-5-21(17-27-23)15-19-3-6-22(26)7-4-19/h3-8,17,20,24H,2,9-16,18H2,1H3
InChIKeyMEBJYBWJNOWIAO-UHFFFAOYSA-N
XLogP3.83
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

2-(1-ethylpiperidin-4-yl)-1-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250449
2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250154
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 73439823
1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 92616712
2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone
CID 127246236
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112932
cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone
CID 110110467
1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124951977
[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92616678
2-(2-fluorophenoxy)-1-[(2R)-2-(5-methyl-2-pyridinyl)morpholin-4-yl]ethanone
CID 124977367

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone (CID 170732205) is 2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone is CCN1CCC(CC(=O)N2CCOC(c3ccc(Cc4ccc(F)cc4)cn3)C2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
The InChIKey is MEBJYBWJNOWIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-2-28-11-9-20(10-12-28)16-25(30)29-13-14-31-24(18-29)23-8-5-21(17-27-23)15-19-3-6-22(26)7-4-19/h3-8,17,20,24H,2,9-16,18H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone?
2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone has a molecular weight of 425.55 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-1-[2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 170732205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).