1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one

C9H15N3O — CID 70326787

IUPAC1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one
SMILESO=C1CCCCN1C1=NCCCN1
InChIInChI=1S/C9H15N3O/c13-8-4-1-2-7-12(8)9-10-5-3-6-11-9/h1-7H2,(H,10,11)
InChIKeyJJPCBGSJTQMZKH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.35
Rot. Bonds

About 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one

1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one (PubChem CID 70326787) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one
PubChem CID70326787
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one
SMILESO=C1CCCCN1C1=NCCCN1
InChIInChI=1S/C9H15N3O/c13-8-4-1-2-7-12(8)9-10-5-3-6-11-9/h1-7H2,(H,10,11)
InChIKeyJJPCBGSJTQMZKH-UHFFFAOYSA-N
XLogP0.35
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one?
The IUPAC name of 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one (CID 70326787) is 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one.
What is the SMILES notation for 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one?
The canonical SMILES for 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one is O=C1CCCCN1C1=NCCCN1.
What is the InChIKey of 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one?
The InChIKey is JJPCBGSJTQMZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c13-8-4-1-2-7-12(8)9-10-5-3-6-11-9/h1-7H2,(H,10,11).
What are the key properties of 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one?
1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-2-one is sourced from PubChem (CID 70326787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).