1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid

C12H15N3O5 — CID 63133538

IUPAC1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H15N3O5/c1-12(10(18)19)3-2-4-15(6-12)9(17)7-5-8(16)14-11(20)13-7/h5H,2-4,6H2,1H3,(H,18,19)(H2,13,14,16,20)
InChIKeyIVYXRENPPAHSBA-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.61
Rot. Bonds2

About 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid

1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63133538) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63133538
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H15N3O5/c1-12(10(18)19)3-2-4-15(6-12)9(17)7-5-8(16)14-11(20)13-7/h5H,2-4,6H2,1H3,(H,18,19)(H2,13,14,16,20)
InChIKeyIVYXRENPPAHSBA-UHFFFAOYSA-N
XLogP-0.61
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid (CID 63133538) is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is IVYXRENPPAHSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-12(10(18)19)3-2-4-15(6-12)9(17)7-5-8(16)14-11(20)13-7/h5H,2-4,6H2,1H3,(H,18,19)(H2,13,14,16,20).
What are the key properties of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid?
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63133538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).