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

C11H17N3O2 — CID 136957566

IUPAC4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCOC1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O2/c1-2-16-9-3-5-14(6-4-9)10-7-11(15)13-8-12-10/h7-9H,2-6H2,1H3,(H,12,13,15)
InChIKeyBLLDMQIXMHEXAC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds3

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

4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957566) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957566
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCOC1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O2/c1-2-16-9-3-5-14(6-4-9)10-7-11(15)13-8-12-10/h7-9H,2-6H2,1H3,(H,12,13,15)
InChIKeyBLLDMQIXMHEXAC-UHFFFAOYSA-N
XLogP0.78
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136987918
4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136978761
4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957515
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136958068
3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one
CID 115657150
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61257242
4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957880
4-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136958851
4-(1-oxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
CID 136957607
4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989738
6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde
CID 80638673

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one (CID 136957566) is 4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one is CCOC1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is BLLDMQIXMHEXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-16-9-3-5-14(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-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one?
4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).