6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

C11H14ClN3O2 — CID 114582085

IUPAC6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnc(Cl)cc1=O)N1CCCCC1
InChIInChI=1S/C11H14ClN3O2/c12-9-6-10(16)15(8-13-9)7-11(17)14-4-2-1-3-5-14/h6,8H,1-5,7H2
InChIKeyQSGZJPHHEMMWDQ-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.91
Rot. Bonds2

About 6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114582085) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID114582085
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnc(Cl)cc1=O)N1CCCCC1
InChIInChI=1S/C11H14ClN3O2/c12-9-6-10(16)15(8-13-9)7-11(17)14-4-2-1-3-5-14/h6,8H,1-5,7H2
InChIKeyQSGZJPHHEMMWDQ-UHFFFAOYSA-N
XLogP0.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-(2-oxo-2-(piperidin-1-yl)ethyl)pyrimidin-4(3H)-one
CID 45534912
3-[2-Oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one
CID 63769546
6-Chloro-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604146
6-Chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604205
3-[2-(Azepan-1-yl)-2-oxoethyl]-6-chloropyrimidin-4-one
CID 113604222
5,6-Dichloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604312
6-Chloro-5-iodo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 113604428
6-Chloro-5-iodo-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604430
6-Chloro-2-ethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 113604492
6-Chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114581659
6-Chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114581682
6-Chloro-3-pentylpyrimidin-4-one
CID 114582032

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (CID 114582085) is 6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is O=C(Cn1cnc(Cl)cc1=O)N1CCCCC1.
What is the InChIKey of 6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is QSGZJPHHEMMWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-9-6-10(16)15(8-13-9)7-11(17)14-4-2-1-3-5-14/h6,8H,1-5,7H2.
What are the key properties of 6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 255.70 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).