2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one

C11H15N3O2 — CID 136973341

IUPAC2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCCC(=O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O2/c1-2-9-12-10(6-11(16)13-9)14-5-3-4-8(15)7-14/h6H,2-5,7H2,1H3,(H,12,13,16)
InChIKeyRVRZPRHZKCINBC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.50
Rot. Bonds2

About 2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one

2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973341) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973341
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCCC(=O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O2/c1-2-9-12-10(6-11(16)13-9)14-5-3-4-8(15)7-14/h6H,2-5,7H2,1H3,(H,12,13,16)
InChIKeyRVRZPRHZKCINBC-UHFFFAOYSA-N
XLogP0.50
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 175761646
4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973275
2-methyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973277
2-ethyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973278
2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973283
4-(4-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973294
4-(4-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136973296
4-(4-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973297
4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973303
4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136973305
4-(2-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973306

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973341) is 2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one is CCc1nc(N2CCCC(=O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is RVRZPRHZKCINBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-9-12-10(6-11(16)13-9)14-5-3-4-8(15)7-14/h6H,2-5,7H2,1H3,(H,12,13,16).
What are the key properties of 2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).