1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one

C12H17N3O — CID 90101535

IUPAC1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)c1ccncn1
InChIInChI=1S/C12H17N3O/c1-10(11-5-6-13-9-14-11)12(16)15-7-3-2-4-8-15/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyIVGHHJBYADQTAE-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.59
Rot. Bonds2

About 1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one

1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one (PubChem CID 90101535) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one
PubChem CID90101535
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)c1ccncn1
InChIInChI=1S/C12H17N3O/c1-10(11-5-6-13-9-14-11)12(16)15-7-3-2-4-8-15/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyIVGHHJBYADQTAE-UHFFFAOYSA-N
XLogP1.59
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one (CID 90101535) is 1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one is CC(C(=O)N1CCCCC1)c1ccncn1.
What is the InChIKey of 1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one?
The InChIKey is IVGHHJBYADQTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10(11-5-6-13-9-14-11)12(16)15-7-3-2-4-8-15/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one?
1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one has a molecular weight of 219.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-pyrimidin-4-ylpropan-1-one is sourced from PubChem (CID 90101535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).