1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid

C13H17N3O4 — CID 63206073

IUPAC1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1cnc(=O)n(CC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C13H17N3O4/c1-9-6-14-13(20)16(7-9)8-11(17)15-4-2-10(3-5-15)12(18)19/h6-7,10H,2-5,8H2,1H3,(H,18,19)
InChIKeyPHUSMJWKXDNXLZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.13
Rot. Bonds3

About 1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 63206073) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID63206073
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1cnc(=O)n(CC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C13H17N3O4/c1-9-6-14-13(20)16(7-9)8-11(17)15-4-2-10(3-5-15)12(18)19/h6-7,10H,2-5,8H2,1H3,(H,18,19)
InChIKeyPHUSMJWKXDNXLZ-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid (CID 63206073) is 1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid is Cc1cnc(=O)n(CC(=O)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is PHUSMJWKXDNXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-9-6-14-13(20)16(7-9)8-11(17)15-4-2-10(3-5-15)12(18)19/h6-7,10H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63206073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).