1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid

C12H17N3O4 — CID 22421354

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCn1c(N2CCCC(C(=O)O)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O4/c1-13-9(6-10(16)14(2)12(13)19)15-5-3-4-8(7-15)11(17)18/h6,8H,3-5,7H2,1-2H3,(H,17,18)
InChIKeySFXAWPMTQMUPHI-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.62
Rot. Bonds2

About 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 22421354) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID22421354
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCn1c(N2CCCC(C(=O)O)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O4/c1-13-9(6-10(16)14(2)12(13)19)15-5-3-4-8(7-15)11(17)18/h6,8H,3-5,7H2,1-2H3,(H,17,18)
InChIKeySFXAWPMTQMUPHI-UHFFFAOYSA-N
XLogP-0.62
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid (CID 22421354) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid is Cn1c(N2CCCC(C(=O)O)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is SFXAWPMTQMUPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-13-9(6-10(16)14(2)12(13)19)15-5-3-4-8(7-15)11(17)18/h6,8H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 22421354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).