5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C11H16N4O3 — CID 55086294

IUPAC5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCNC1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H16N4O3/c1-12-7-3-2-4-15(6-7)10(17)8-5-13-11(18)14-9(8)16/h5,7,12H,2-4,6H2,1H3,(H2,13,14,16,18)
InChIKeyWXIVBMXNWWIKLW-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.11
Rot. Bonds2

About 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 55086294) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID55086294
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCNC1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H16N4O3/c1-12-7-3-2-4-15(6-7)10(17)8-5-13-11(18)14-9(8)16/h5,7,12H,2-4,6H2,1H3,(H2,13,14,16,18)
InChIKeyWXIVBMXNWWIKLW-UHFFFAOYSA-N
XLogP-1.11
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 55086294) is 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CNC1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WXIVBMXNWWIKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-12-7-3-2-4-15(6-7)10(17)8-5-13-11(18)14-9(8)16/h5,7,12H,2-4,6H2,1H3,(H2,13,14,16,18).
What are the key properties of 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 55086294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).