1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one

C24H31N3O2 — CID 110624572

IUPAC1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
SMILESO=C(C(Cc1cccnc1)c1ccccc1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C24H31N3O2/c28-24(27-11-8-20(9-12-27)19-26-13-15-29-16-14-26)23(22-6-2-1-3-7-22)17-21-5-4-10-25-18-21/h1-7,10,18,20,23H,8-9,11-17,19H2
InChIKeyREYCJMHUAXNYLA-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.98
Rot. Bonds6

About 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one

1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one (PubChem CID 110624572) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
PubChem CID110624572
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
SMILESO=C(C(Cc1cccnc1)c1ccccc1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C24H31N3O2/c28-24(27-11-8-20(9-12-27)19-26-13-15-29-16-14-26)23(22-6-2-1-3-7-22)17-21-5-4-10-25-18-21/h1-7,10,18,20,23H,8-9,11-17,19H2
InChIKeyREYCJMHUAXNYLA-UHFFFAOYSA-N
XLogP2.98
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-morpholin-4-yl-3-pyridin-3-ylpropan-1-one
CID 110296410
1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110421746
3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
CID 82118256
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110609353
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 97012499
N-[[1-[4-(1-morpholin-4-yl-1-oxo-3-pyridin-3-ylpropan-2-yl)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211195
1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
CID 110407270
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 55845373
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110296415
2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 110311432
2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 110310019

Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one (CID 110624572) is 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one is O=C(C(Cc1cccnc1)c1ccccc1)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one?
The InChIKey is REYCJMHUAXNYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-24(27-11-8-20(9-12-27)19-26-13-15-29-16-14-26)23(22-6-2-1-3-7-22)17-21-5-4-10-25-18-21/h1-7,10,18,20,23H,8-9,11-17,19H2.
What are the key properties of 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one?
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one has a molecular weight of 393.53 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 110624572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).