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

C11H15N3O2 — CID 136973302

IUPAC4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H15N3O2/c1-8(15)9-4-2-3-5-14(9)10-6-11(16)13-7-12-10/h6-7,9H,2-5H2,1H3,(H,12,13,16)
InChIKeyNDUYWRGFHZLDPZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.72
Rot. Bonds2

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

4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973302) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973302
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H15N3O2/c1-8(15)9-4-2-3-5-14(9)10-6-11(16)13-7-12-10/h6-7,9H,2-5H2,1H3,(H,12,13,16)
InChIKeyNDUYWRGFHZLDPZ-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Oxopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136973274
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
4-(2-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136973307
4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one
CID 136973308
4-(2-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136973309
4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one
CID 136973310
4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973319
4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973337
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008212

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973302) is 4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one is CC(=O)C1CCCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is NDUYWRGFHZLDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(15)9-4-2-3-5-14(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-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).