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

C11H17N3O2 — CID 114586374

IUPAC4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CCCCN2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-10-7-11(14-8-13-10)16-6-4-9-3-1-2-5-12-9/h7-9,12H,1-6H2,(H,13,14,15)
InChIKeyRUKMWGWRQCMHFG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.68
Rot. Bonds4

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

4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114586374) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114586374
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CCCCN2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-10-7-11(14-8-13-10)16-6-4-9-3-1-2-5-12-9/h7-9,12H,1-6H2,(H,13,14,15)
InChIKeyRUKMWGWRQCMHFG-UHFFFAOYSA-N
XLogP0.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
CID 86321830
2-(2-piperidin-2-ylethoxy)pyridine-4-carboxamide
CID 62347860
4-ethoxy-2-methyl-6-(2-piperidin-2-ylethoxy)pyrimidine
CID 66333125
5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 71636389
4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine
CID 115355534
3-(2-piperidin-2-ylethoxy)pyridazine
CID 62483689
2-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrazine
CID 86321843
6-(2-piperidin-2-ylethoxy)pyridine-2-carboxamide
CID 64589008
4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805325
2-(2-piperidin-2-ylethoxy)quinoxaline
CID 62359871
3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine
CID 57061640
4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586426

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one (CID 114586374) is 4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one is O=c1cc(OCCC2CCCCN2)nc[nH]1.
What is the InChIKey of 4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is RUKMWGWRQCMHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10-7-11(14-8-13-10)16-6-4-9-3-1-2-5-12-9/h7-9,12H,1-6H2,(H,13,14,15).
What are the key properties of 4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).