3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

C24H30FN3O2 — CID 92616486

IUPAC3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)N1CCOCC1
InChIInChI=1S/C24H30FN3O2/c25-22-4-2-1-3-21(22)17-19-5-6-23(26-18-19)20-7-10-27(11-8-20)12-9-24(29)28-13-15-30-16-14-28/h1-6,18,20H,7-17H2
InChIKeyLIALWKAXDMOLEM-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.24
Rot. Bonds6

About 3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 92616486) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID92616486
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)N1CCOCC1
InChIInChI=1S/C24H30FN3O2/c25-22-4-2-1-3-21(22)17-19-5-6-23(26-18-19)20-7-10-27(11-8-20)12-9-24(29)28-13-15-30-16-14-28/h1-6,18,20H,7-17H2
InChIKeyLIALWKAXDMOLEM-UHFFFAOYSA-N
XLogP3.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 92616693
2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250154
[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124968009
[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 92616651
N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 92616479
2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809077
N-(2-fluorophenyl)-2-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]acetamide
CID 127250139
3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981575
(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]-4-pyrimidin-2-ylmorpholine
CID 124943851
1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one
CID 110093402
(5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 92616680
1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 92616712

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 92616486) is 3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCN1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)N1CCOCC1.
What is the InChIKey of 3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is LIALWKAXDMOLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c25-22-4-2-1-3-21(22)17-19-5-6-23(26-18-19)20-7-10-27(11-8-20)12-9-24(29)28-13-15-30-16-14-28/h1-6,18,20H,7-17H2.
What are the key properties of 3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 411.52 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 92616486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).