1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione

C15H22N4O3 — CID 56909141

IUPAC1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H22N4O3/c20-13-5-9-19(15(22)16-13)11-14(21)18-8-3-4-12(10-18)17-6-1-2-7-17/h5,9,12H,1-4,6-8,10-11H2,(H,16,20,22)
InChIKeyZVWSAJVVBBCHAM-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.38
Rot. Bonds3

About 1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione

1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 56909141) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione
PubChem CID56909141
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H22N4O3/c20-13-5-9-19(15(22)16-13)11-14(21)18-8-3-4-12(10-18)17-6-1-2-7-17/h5,9,12H,1-4,6-8,10-11H2,(H,16,20,22)
InChIKeyZVWSAJVVBBCHAM-UHFFFAOYSA-N
XLogP-0.38
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
CID 71654889
1,3-Dimethyl-6-[[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56821553
1-(Piperidin-3-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 137947129
1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4(1H,3H)-dione
CID 56716242
1-[2-(4-Methylpiperidin-1-YL)-2-oxoethyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 26643718
2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 164633051
6-(3-aminopiperidino)-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 56770224
1-(piperidin-3-yl)pyrimidine-2,4(1H,3H)-dione
CID 51050696
2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813389
1-[2-[5-Amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 128986362
1-[2-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 129535668
1-[2-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 129535669

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione (CID 56909141) is 1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC(N2CCCC2)C1.
What is the InChIKey of 1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is ZVWSAJVVBBCHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-13-5-9-19(15(22)16-13)11-14(21)18-8-3-4-12(10-18)17-6-1-2-7-17/h5,9,12H,1-4,6-8,10-11H2,(H,16,20,22).
What are the key properties of 1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione?
1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 306.37 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56909141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).