3-piperidin-4-yl-1,6-dihydropyrimidin-2-one

C9H15N3O — CID 18314270

IUPAC3-piperidin-4-yl-1,6-dihydropyrimidin-2-one
SMILESO=C1NCC=CN1C1CCNCC1
InChIInChI=1S/C9H15N3O/c13-9-11-4-1-7-12(9)8-2-5-10-6-3-8/h1,7-8,10H,2-6H2,(H,11,13)
InChIKeyYTFCDAMNRHCQCC-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.28
Rot. Bonds1

About 3-piperidin-4-yl-1,6-dihydropyrimidin-2-one

3-piperidin-4-yl-1,6-dihydropyrimidin-2-one (PubChem CID 18314270) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-piperidin-4-yl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-piperidin-4-yl-1,6-dihydropyrimidin-2-one
PubChem CID18314270
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-piperidin-4-yl-1,6-dihydropyrimidin-2-one
SMILESO=C1NCC=CN1C1CCNCC1
InChIInChI=1S/C9H15N3O/c13-9-11-4-1-7-12(9)8-2-5-10-6-3-8/h1,7-8,10H,2-6H2,(H,11,13)
InChIKeyYTFCDAMNRHCQCC-UHFFFAOYSA-N
XLogP0.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1,6-dihydropyrimidin-2-one?
The IUPAC name of 3-piperidin-4-yl-1,6-dihydropyrimidin-2-one (CID 18314270) is 3-piperidin-4-yl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 3-piperidin-4-yl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 3-piperidin-4-yl-1,6-dihydropyrimidin-2-one is O=C1NCC=CN1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-1,6-dihydropyrimidin-2-one?
The InChIKey is YTFCDAMNRHCQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c13-9-11-4-1-7-12(9)8-2-5-10-6-3-8/h1,7-8,10H,2-6H2,(H,11,13).
What are the key properties of 3-piperidin-4-yl-1,6-dihydropyrimidin-2-one?
3-piperidin-4-yl-1,6-dihydropyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 18314270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).