4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one

C11H17N3O2 — CID 103241394

IUPAC4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCN2CCCCC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-10-8-11(13-9-12-10)16-7-6-14-4-2-1-3-5-14/h8-9H,1-7H2,(H,12,13,15)
InChIKeyKXOFVBYGRNILMF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.63
Rot. Bonds4

About 4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one

4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 103241394) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
PubChem CID103241394
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCN2CCCCC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-10-8-11(13-9-12-10)16-7-6-14-4-2-1-3-5-14/h8-9H,1-7H2,(H,12,13,15)
InChIKeyKXOFVBYGRNILMF-UHFFFAOYSA-N
XLogP0.63
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954690
4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241383
5-amino-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241385
2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241391
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241398
4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241419
4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241431
5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241481
4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241487
4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241701
4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939637
5-chloro-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113616066

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one (CID 103241394) is 4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one is O=c1cc(OCCN2CCCCC2)nc[nH]1.
What is the InChIKey of 4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is KXOFVBYGRNILMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10-8-11(13-9-12-10)16-7-6-14-4-2-1-3-5-14/h8-9H,1-7H2,(H,12,13,15).
What are the key properties of 4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one?
4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).