1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide

C12H16N4O4 — CID 32978517

IUPAC1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H16N4O4/c13-11(19)8-1-4-15(5-2-8)10(18)7-16-6-3-9(17)14-12(16)20/h3,6,8H,1-2,4-5,7H2,(H2,13,19)(H,14,17,20)
InChIKeyIHXITDDZCMBAFH-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.74
Rot. Bonds3

About 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide

1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide (PubChem CID 32978517) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide
PubChem CID32978517
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H16N4O4/c13-11(19)8-1-4-15(5-2-8)10(18)7-16-6-3-9(17)14-12(16)20/h3,6,8H,1-2,4-5,7H2,(H2,13,19)(H,14,17,20)
InChIKeyIHXITDDZCMBAFH-UHFFFAOYSA-N
XLogP-1.74
TPSA118.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide (CID 32978517) is 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1.
What is the InChIKey of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is IHXITDDZCMBAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c13-11(19)8-1-4-15(5-2-8)10(18)7-16-6-3-9(17)14-12(16)20/h3,6,8H,1-2,4-5,7H2,(H2,13,19)(H,14,17,20).
What are the key properties of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide?
1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 280.28 g/mol, XLogP of -1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 32978517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).