2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid

C13H17N3O4 — CID 106742009

IUPAC2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C13H17N3O4/c1-9-7-10(12(18)19)3-6-16(9)11(17)8-15-5-2-4-14-13(15)20/h2,4-5,9-10H,3,6-8H2,1H3,(H,18,19)
InChIKeyCSPWCRVBJVHZOW-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.05
Rot. Bonds3

About 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid

2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 106742009) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID106742009
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C13H17N3O4/c1-9-7-10(12(18)19)3-6-16(9)11(17)8-15-5-2-4-14-13(15)20/h2,4-5,9-10H,3,6-8H2,1H3,(H,18,19)
InChIKeyCSPWCRVBJVHZOW-UHFFFAOYSA-N
XLogP-0.05
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 43170997
1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 43354154
1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 43355988
Ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
CID 43431613
Methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
CID 43431614
3-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-3-yl]propanoic acid
CID 61706893
4-Methyl-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 62043718
3-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-2-yl]propanoic acid
CID 62217110
3-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-4-yl]propanoic acid
CID 62218176
2-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 62689562
4-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 63123079
4-Ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 63125309

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid (CID 106742009) is 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)Cn1cccnc1=O.
What is the InChIKey of 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is CSPWCRVBJVHZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-9-7-10(12(18)19)3-6-16(9)11(17)8-15-5-2-4-14-13(15)20/h2,4-5,9-10H,3,6-8H2,1H3,(H,18,19).
What are the key properties of 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106742009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).