1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide

C12H16N4O4 — CID 2150009

IUPAC1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H16N4O4/c13-11(19)7-1-3-16(4-2-7)10(18)6-8-5-9(17)15-12(20)14-8/h5,7H,1-4,6H2,(H2,13,19)(H2,14,15,17,20)
InChIKeyJCWBPTDBXPVPOD-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.67
Rot. Bonds3

About 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide (PubChem CID 2150009) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide
PubChem CID2150009
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H16N4O4/c13-11(19)7-1-3-16(4-2-7)10(18)6-8-5-9(17)15-12(20)14-8/h5,7H,1-4,6H2,(H2,13,19)(H2,14,15,17,20)
InChIKeyJCWBPTDBXPVPOD-UHFFFAOYSA-N
XLogP-1.67
TPSA129.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide (CID 2150009) is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is JCWBPTDBXPVPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c13-11(19)7-1-3-16(4-2-7)10(18)6-8-5-9(17)15-12(20)14-8/h5,7H,1-4,6H2,(H2,13,19)(H2,14,15,17,20).
What are the key properties of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide?
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 280.28 g/mol, XLogP of -1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 2150009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).