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

C13H19N3O2 — CID 136973288

IUPAC4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCCC(C(C)=O)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-3-11-14-12(7-13(18)15-11)16-6-4-5-10(8-16)9(2)17/h7,10H,3-6,8H2,1-2H3,(H,14,15,18)
InChIKeyCMPITDZNPMMMQA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.14
Rot. Bonds3

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

4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136973288) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136973288
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCCC(C(C)=O)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-3-11-14-12(7-13(18)15-11)16-6-4-5-10(8-16)9(2)17/h7,10H,3-6,8H2,1-2H3,(H,14,15,18)
InChIKeyCMPITDZNPMMMQA-UHFFFAOYSA-N
XLogP1.14
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 136216738
N-ethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 139019818
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-3-(1-methyl-3-piperidinyl)propanamide
CID 136233477
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-1-isopropyl-3-piperidinecarboxamide
CID 136249179
4-(dimethylamino)-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136345065
N-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-1-methylpiperidine-3-carboxamide
CID 136662234
N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687971
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687973
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687976
N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687977
2-methyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731875
2-cyclopropyl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731877

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one (CID 136973288) is 4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N2CCCC(C(C)=O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is CMPITDZNPMMMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-11-14-12(7-13(18)15-11)16-6-4-5-10(8-16)9(2)17/h7,10H,3-6,8H2,1-2H3,(H,14,15,18).
What are the key properties of 4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one?
4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).