4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one

C11H17N3O — CID 136957695

IUPAC4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O/c1-2-9-3-5-14(6-4-9)10-7-11(15)13-8-12-10/h7-9H,2-6H2,1H3,(H,12,13,15)
InChIKeyAEWOLOMNPLWXHJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.40
Rot. Bonds2

About 4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one

4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957695) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957695
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O/c1-2-9-3-5-14(6-4-9)10-7-11(15)13-8-12-10/h7-9H,2-6H2,1H3,(H,12,13,15)
InChIKeyAEWOLOMNPLWXHJ-UHFFFAOYSA-N
XLogP1.40
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136957695) is 4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one is CCC1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is AEWOLOMNPLWXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-9-3-5-14(6-4-9)10-7-11(15)13-8-12-10/h7-9H,2-6H2,1H3,(H,12,13,15).
What are the key properties of 4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).