5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

C14H20N4O3 — CID 60978418

IUPAC5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H20N4O3/c19-12-10(7-16-14(21)17-12)13(20)18-6-2-3-9(8-18)11-4-1-5-15-11/h7,9,11,15H,1-6,8H2,(H2,16,17,19,21)
InChIKeyOQPLENDXACTIFO-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.33
Rot. Bonds2

About 5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 60978418) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID60978418
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H20N4O3/c19-12-10(7-16-14(21)17-12)13(20)18-6-2-3-9(8-18)11-4-1-5-15-11/h7,9,11,15H,1-6,8H2,(H2,16,17,19,21)
InChIKeyOQPLENDXACTIFO-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

5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl}pyrimidine-2,4(1H,3H)-dione
CID 56880919
1-methyl-2,4-dioxo-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 91771412
3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 175771449
1,3-Dimethyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione
CID 28615157
1,3-Dimethyl-5-[[(2-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione
CID 43201361
1,3-Dimethyl-5-[[(3-methylcyclohexyl)amino]methyl]pyrimidine-2,4-dione
CID 43317667
5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43556272
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43594238
N-(5-azaspiro[3.5]nonan-8-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43595125
5-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 43596052
N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
CID 43602104
5-[(1,2,3,5,6,7,8,8a-Octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43694213

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 60978418) is 5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is O=C(c1c[nH]c(=O)[nH]c1=O)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is OQPLENDXACTIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-12-10(7-16-14(21)17-12)13(20)18-6-2-3-9(8-18)11-4-1-5-15-11/h7,9,11,15H,1-6,8H2,(H2,16,17,19,21).
What are the key properties of 5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
5-(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 5-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 60978418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).