1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid

C14H19N3O4 — CID 43354264

IUPAC1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-8-11(9(2)16-14(21)15-8)7-12(18)17-5-3-10(4-6-17)13(19)20/h10H,3-7H2,1-2H3,(H,19,20)(H,15,16,21)
InChIKeyLJUNRHXHBCDPES-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.25
Rot. Bonds3

About 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 43354264) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID43354264
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-8-11(9(2)16-14(21)15-8)7-12(18)17-5-3-10(4-6-17)13(19)20/h10H,3-7H2,1-2H3,(H,19,20)(H,15,16,21)
InChIKeyLJUNRHXHBCDPES-UHFFFAOYSA-N
XLogP0.25
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylbutanoic acid
CID 43354098
4-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid
CID 43355150
1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid
CID 43355918
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylpentanoic acid
CID 43356536
4-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]butanoic acid
CID 43360163
3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 60831075
2-[1-(4-Amino-4-oxobutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 60865248
5-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 60957024
3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]propanoic acid
CID 60989094
3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]propanoic acid
CID 61009046
(2S,3S)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylpentanoic acid
CID 61131899
(2S)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylbutanoic acid
CID 61137603

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid (CID 43354264) is 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is LJUNRHXHBCDPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-11(9(2)16-14(21)15-8)7-12(18)17-5-3-10(4-6-17)13(19)20/h10H,3-7H2,1-2H3,(H,19,20)(H,15,16,21).
What are the key properties of 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43354264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).