6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

C14H20N4O3 — CID 63259377

IUPAC6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H20N4O3/c19-12-8-11(16-14(21)17-12)13(20)18-6-3-9(4-7-18)10-2-1-5-15-10/h8-10,15H,1-7H2,(H2,16,17,19,21)
InChIKeyVURLYEQZUQHPSN-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.33
Rot. Bonds2

About 6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 63259377) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID63259377
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H20N4O3/c19-12-8-11(16-14(21)17-12)13(20)18-6-3-9(4-7-18)10-2-1-5-15-10/h8-10,15H,1-7H2,(H2,16,17,19,21)
InChIKeyVURLYEQZUQHPSN-UHFFFAOYSA-N
XLogP-0.33
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 63259377) is 6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is VURLYEQZUQHPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-12-8-11(16-14(21)17-12)13(20)18-6-3-9(4-7-18)10-2-1-5-15-10/h8-10,15H,1-7H2,(H2,16,17,19,21).
What are the key properties of 6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 63259377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).