5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C11H16ClN3O2 — CID 136821996

IUPAC5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C11H16ClN3O2/c1-17-6-8-3-2-4-15(5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyDQZNMUFVOHSBMJ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.29
Rot. Bonds3

About 5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136821996) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136821996
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C11H16ClN3O2/c1-17-6-8-3-2-4-15(5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyDQZNMUFVOHSBMJ-UHFFFAOYSA-N
XLogP1.29
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586407
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716211
5-chloro-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731873
5-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749178
5-chloro-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786668
5-bromo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821994
5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821995
5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821997
4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821999
5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136901130
4-[methyl(oxan-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136957870
5-chloro-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974440

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136821996) is 5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is COCC1CCCN(c2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is DQZNMUFVOHSBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-17-6-8-3-2-4-15(5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136821996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).