2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one

C12H17N3O2 — CID 143940576

IUPAC2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-9-13-8-10(12(17)14-9)7-11(16)15-5-3-2-4-6-15/h8H,2-7H2,1H3,(H,13,14,17)
InChIKeyIYCMVWVGMKRXOL-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.63
Rot. Bonds2

About 2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one

2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one (PubChem CID 143940576) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
PubChem CID143940576
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-9-13-8-10(12(17)14-9)7-11(16)15-5-3-2-4-6-15/h8H,2-7H2,1H3,(H,13,14,17)
InChIKeyIYCMVWVGMKRXOL-UHFFFAOYSA-N
XLogP0.63
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70711114
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide
CID 90841217
5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 90925807
N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940488
ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940516
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 143940523
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940615
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940630
2-(2-butyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide
CID 169664171
3-Propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 171538616
2-(4-Hydroxy-2-methylpyrimidin-5-yl)acetamide
CID 819887
5-[2-(3,9-diazaspiro[5.5]undec-3-yl)-2-oxoethyl]-2-methyl-4(3H)-pyrimidinone hydrochloride
CID 56871392

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one (CID 143940576) is 2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one?
The InChIKey is IYCMVWVGMKRXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-13-8-10(12(17)14-9)7-11(16)15-5-3-2-4-6-15/h8H,2-7H2,1H3,(H,13,14,17).
What are the key properties of 2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one?
2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 143940576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).