3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one

C17H20N4O — CID 118778975

IUPAC3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCc1cccnc1)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C17H20N4O/c22-17(4-3-14-2-1-8-18-12-14)21-10-6-15(7-11-21)16-5-9-19-13-20-16/h1-2,5,8-9,12-13,15H,3-4,6-7,10-11H2
InChIKeyMIXVPFLDLVMLOH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.21
Rot. Bonds4

About 3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one

3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one (PubChem CID 118778975) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
PubChem CID118778975
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCc1cccnc1)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C17H20N4O/c22-17(4-3-14-2-1-8-18-12-14)21-10-6-15(7-11-21)16-5-9-19-13-20-16/h1-2,5,8-9,12-13,15H,3-4,6-7,10-11H2
InChIKeyMIXVPFLDLVMLOH-UHFFFAOYSA-N
XLogP2.21
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70735998
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545
2-(3-fluorophenyl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 118775431
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115746441
1-[(4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepan-1-yl]-3-pyridin-3-ylpropan-1-one
CID 110128461
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 127246248
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125025642
1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 90648390
[(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 124755369
3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124553959

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one (CID 118778975) is 3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one is O=C(CCc1cccnc1)N1CCC(c2ccncn2)CC1.
What is the InChIKey of 3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one?
The InChIKey is MIXVPFLDLVMLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(4-3-14-2-1-8-18-12-14)21-10-6-15(7-11-21)16-5-9-19-13-20-16/h1-2,5,8-9,12-13,15H,3-4,6-7,10-11H2.
What are the key properties of 3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one?
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one has a molecular weight of 296.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 118778975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).