1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide

C11H14N4O3 — CID 137147281

IUPAC1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H14N4O3/c12-10(17)7-1-3-15(4-2-7)11(18)8-5-9(16)14-6-13-8/h5-7H,1-4H2,(H2,12,17)(H,13,14,16)
InChIKeyILIJOLZNDGZCBE-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.89
Rot. Bonds2

About 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide

1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide (PubChem CID 137147281) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide
PubChem CID137147281
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H14N4O3/c12-10(17)7-1-3-15(4-2-7)11(18)8-5-9(16)14-6-13-8/h5-7H,1-4H2,(H2,12,17)(H,13,14,16)
InChIKeyILIJOLZNDGZCBE-UHFFFAOYSA-N
XLogP-0.89
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide (CID 137147281) is 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is ILIJOLZNDGZCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-10(17)7-1-3-15(4-2-7)11(18)8-5-9(16)14-6-13-8/h5-7H,1-4H2,(H2,12,17)(H,13,14,16).
What are the key properties of 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide?
1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 137147281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).