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

C14H21N3O2 — CID 136973303

IUPAC4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCCN1c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H21N3O2/c1-9(2)14-15-12(8-13(19)16-14)17-7-5-4-6-11(17)10(3)18/h8-9,11H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyBBSCLPJSYNNIEA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.84
Rot. Bonds3

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

4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136973303) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136973303
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCCN1c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H21N3O2/c1-9(2)14-15-12(8-13(19)16-14)17-7-5-4-6-11(17)10(3)18/h8-9,11H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyBBSCLPJSYNNIEA-UHFFFAOYSA-N
XLogP1.84
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-oxopiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973275
4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973285
4-(3-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136973287
4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973288
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)-1H-pyrimidin-6-one
CID 136973302
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-[methyl-(4-oxocyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973320
2-methyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973321

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136973303) is 4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(=O)C1CCCCN1c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is BBSCLPJSYNNIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)14-15-12(8-13(19)16-14)17-7-5-4-6-11(17)10(3)18/h8-9,11H,4-7H2,1-3H3,(H,15,16,19).
What are the key properties of 4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.84, 3 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)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).