4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one

C11H15N3O2 — CID 136973293

IUPAC4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC(=O)C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H15N3O2/c1-8(15)9-2-4-14(5-3-9)10-6-11(16)13-7-12-10/h6-7,9H,2-5H2,1H3,(H,12,13,16)
InChIKeyWFTZJKPCODIMHR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.58
Rot. Bonds2

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

4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973293) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973293
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC(=O)C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H15N3O2/c1-8(15)9-2-4-14(5-3-9)10-6-11(16)13-7-12-10/h6-7,9H,2-5H2,1H3,(H,12,13,16)
InChIKeyWFTZJKPCODIMHR-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-acetylpiperidin-1-yl)-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

4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957965
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}acetamide
CID 165431804
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
CID 175648121
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
1-(4-Amino-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxamide
CID 135646539
4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136557612
N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687975
4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731878
4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805332
4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805350
1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 136834832
1-(6-Oxo-1,6-dihydropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136854288

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973293) is 4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one is CC(=O)C1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is WFTZJKPCODIMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(15)9-2-4-14(5-3-9)10-6-11(16)13-7-12-10/h6-7,9H,2-5H2,1H3,(H,12,13,16).
What are the key properties of 4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).