5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione

C14H21N3O3 — CID 80642777

IUPAC5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C(C)CN2CCCCC2)c1=O
InChIInChI=1S/C14H21N3O3/c1-10(9-16-6-4-3-5-7-16)17-13(19)12(11(2)18)8-15-14(17)20/h8,10H,3-7,9H2,1-2H3,(H,15,20)
InChIKeyYVPHBSULJVNNLK-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.79
Rot. Bonds4

About 5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 80642777) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID80642777
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C(C)CN2CCCCC2)c1=O
InChIInChI=1S/C14H21N3O3/c1-10(9-16-6-4-3-5-7-16)17-13(19)12(11(2)18)8-15-14(17)20/h8,10H,3-7,9H2,1-2H3,(H,15,20)
InChIKeyYVPHBSULJVNNLK-UHFFFAOYSA-N
XLogP0.79
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione
CID 4108328
m-Piperidinyl thymine
CID 51050595
5-Acetyl-3-ethylpyrimidine-2,4(1h,3h)-dione
CID 80643763
5-acetyl-1-hexylpyrimidine-2,4(1H,3H)-dione
CID 56690069
5-acetyl-1-[5-(5-acetyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentyl]pyrimidine-2,4(1H,3H)-dione
CID 145922020
5-acetyl-3-cyclotridecyl-1H-pyrimidine-2,4-dione
CID 166779786
5-acetyl-1-(4-methylpiperazino)-2,4(1H,3H)-pyrimidinedione
CID 1483601
5-acetyl-1-[(2R)-octan-2-yl]pyrimidine-2,4-dione
CID 1815213
5-acetyl-1-[(2S)-octan-2-yl]pyrimidine-2,4-dione
CID 1815214
5-Acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione
CID 6987062
6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione
CID 27215379
6-amino-1,3-dimethyl-5-[(2S)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione
CID 27215381

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione (CID 80642777) is 5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(C(C)CN2CCCCC2)c1=O.
What is the InChIKey of 5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is YVPHBSULJVNNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(9-16-6-4-3-5-7-16)17-13(19)12(11(2)18)8-15-14(17)20/h8,10H,3-7,9H2,1-2H3,(H,15,20).
What are the key properties of 5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 279.34 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80642777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).