1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid

C13H17N3O5 — CID 43170464

IUPAC1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)N2CCC(C(=O)O)CC2)c1=O
InChIInChI=1S/C13H17N3O5/c1-14-10(17)4-7-16(13(14)21)8-11(18)15-5-2-9(3-6-15)12(19)20/h4,7,9H,2-3,5-6,8H2,1H3,(H,19,20)
InChIKeyOPWFCQBBNIDJRQ-UHFFFAOYSA-N
MW295.30 g/mol
LogP-1.13
Rot. Bonds3

About 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 43170464) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID43170464
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)N2CCC(C(=O)O)CC2)c1=O
InChIInChI=1S/C13H17N3O5/c1-14-10(17)4-7-16(13(14)21)8-11(18)15-5-2-9(3-6-15)12(19)20/h4,7,9H,2-3,5-6,8H2,1H3,(H,19,20)
InChIKeyOPWFCQBBNIDJRQ-UHFFFAOYSA-N
XLogP-1.13
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 63557587
1-(1,3-Dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 22421351
1-(3-Ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 22421353
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 24709932
1-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 43170466
1-[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 43355860
4-[Methyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43360101
Methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
CID 43408685
1-(1-Methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56770227
1-[2-[4-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 60956540
2-[1-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 62689572
1-[2-(4-Oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
CID 62881181

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid (CID 43170464) is 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid is Cn1c(=O)ccn(CC(=O)N2CCC(C(=O)O)CC2)c1=O.
What is the InChIKey of 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is OPWFCQBBNIDJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-14-10(17)4-7-16(13(14)21)8-11(18)15-5-2-9(3-6-15)12(19)20/h4,7,9H,2-3,5-6,8H2,1H3,(H,19,20).
What are the key properties of 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43170464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).