4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 137015621

IUPAC4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCOC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C12H19N3O2/c1-2-6-17-10-4-3-5-15(8-10)11-7-12(16)14-9-13-11/h7,9-10H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyKDEVAVSOCKHNBL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.17
Rot. Bonds4

About 4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one

4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137015621) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID137015621
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCOC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C12H19N3O2/c1-2-6-17-10-4-3-5-15(8-10)11-7-12(16)14-9-13-11/h7,9-10H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyKDEVAVSOCKHNBL-UHFFFAOYSA-N
XLogP1.17
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Morpholinopyrimidin-4-ol
CID 136128233
4-[3-[(3S)-3-hydroxypiperidin-1-yl]propylamino]-1H-pyrimidin-6-one
CID 171359109
4-[2-(fluoromethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 157738230
4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137138532
2-amino-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 156458408
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one
CID 156533567
2-(azepan-1-yl)-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 156533645
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one
CID 156533647
4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954690
4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241394
4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939637
4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586399

Frequently Asked Questions

What is the IUPAC name of 4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one (CID 137015621) is 4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one is CCCOC1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is KDEVAVSOCKHNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-6-17-10-4-3-5-15(8-10)11-7-12(16)14-9-13-11/h7,9-10H,2-6,8H2,1H3,(H,13,14,16).
What are the key properties of 4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one?
4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137015621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).