1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid

C12H15N3O4 — CID 43170997

IUPAC1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C12H15N3O4/c16-10(8-15-6-2-4-13-12(15)19)14-5-1-3-9(7-14)11(17)18/h2,4,6,9H,1,3,5,7-8H2,(H,17,18)
InChIKeyWIKXJDWAJZUSDG-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.43
Rot. Bonds3

About 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid

1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 43170997) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID43170997
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C12H15N3O4/c16-10(8-15-6-2-4-13-12(15)19)14-5-1-3-9(7-14)11(17)18/h2,4,6,9H,1,3,5,7-8H2,(H,17,18)
InChIKeyWIKXJDWAJZUSDG-UHFFFAOYSA-N
XLogP-0.43
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 43354154
Ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
CID 43431547
3-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-3-yl]propanoic acid
CID 61706893
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
3-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 63133882
3-Ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 63134221
2-[[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]methyl]pentanoic acid
CID 65218813
2-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]acetic acid
CID 65945639
Methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
CID 78919697
methyl (3S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
CID 78919704
2-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 78980970

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid (CID 43170997) is 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Cn2cccnc2=O)C1.
What is the InChIKey of 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is WIKXJDWAJZUSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10(8-15-6-2-4-13-12(15)19)14-5-1-3-9(7-14)11(17)18/h2,4,6,9H,1,3,5,7-8H2,(H,17,18).
What are the key properties of 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43170997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).