5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one

C10H14ClN3O2 — CID 136749181

IUPAC5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H14ClN3O2/c1-16-7-3-2-4-14(5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyBQYAAJXWFOEUTF-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.04
Rot. Bonds2

About 5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one

5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136749181) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136749181
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H14ClN3O2/c1-16-7-3-2-4-14(5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyBQYAAJXWFOEUTF-UHFFFAOYSA-N
XLogP1.04
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954771
5-chloro-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939636
5-chloro-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113616066
5-chloro-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586398
5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 114676283
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702384
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716211
5-chloro-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749168
5-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749178
5-bromo-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749179
5-iodo-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749180

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one (CID 136749181) is 5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one is COC1CCCN(c2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is BQYAAJXWFOEUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-16-7-3-2-4-14(5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 243.69 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136749181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).