2-piperidin-1-yl-1H-pyrimidin-6-one

C9H13N3O — CID 1404202

IUPAC2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(N2CCCCC2)[nH]1
InChIInChI=1S/C9H13N3O/c13-8-4-5-10-9(11-8)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,10,11,13)
InChIKeyRCLPPVGRWSZZNX-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.76
Rot. Bonds1

About 2-piperidin-1-yl-1H-pyrimidin-6-one

2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 1404202) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID1404202
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(N2CCCCC2)[nH]1
InChIInChI=1S/C9H13N3O/c13-8-4-5-10-9(11-8)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,10,11,13)
InChIKeyRCLPPVGRWSZZNX-UHFFFAOYSA-N
XLogP0.76
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-piperidin-1-yl-1H-pyrimidin-6-one (CID 1404202) is 2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-piperidin-1-yl-1H-pyrimidin-6-one is O=c1ccnc(N2CCCCC2)[nH]1.
What is the InChIKey of 2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is RCLPPVGRWSZZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-8-4-5-10-9(11-8)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,10,11,13).
What are the key properties of 2-piperidin-1-yl-1H-pyrimidin-6-one?
2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 1404202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).