6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

C14H20N4O3 — CID 60979497

IUPAC6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H20N4O3/c19-12-7-11(16-14(21)17-12)13(20)18-6-2-3-9(8-18)10-4-1-5-15-10/h7,9-10,15H,1-6,8H2,(H2,16,17,19,21)
InChIKeyPOWXWJAEIDSOMV-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.33
Rot. Bonds2

About 6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 60979497) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID60979497
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H20N4O3/c19-12-7-11(16-14(21)17-12)13(20)18-6-2-3-9(8-18)10-4-1-5-15-10/h7,9-10,15H,1-6,8H2,(H2,16,17,19,21)
InChIKeyPOWXWJAEIDSOMV-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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Related Compounds

6-(2-ethyl-4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 6618800
6-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43556193
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43594393
N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43595251
6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43595501
N-(1-azaspiro[5.5]undecan-4-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43595641
6-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 43596178
N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide
CID 43602147
6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 51386615
6-[(2R)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 51386617
4-(3-Pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 54885852
6-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 55176062

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 60979497) is 6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is POWXWJAEIDSOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-12-7-11(16-14(21)17-12)13(20)18-6-2-3-9(8-18)10-4-1-5-15-10/h7,9-10,15H,1-6,8H2,(H2,16,17,19,21).
What are the key properties of 6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
6-(3-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-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 60979497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).