1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C13H19N3O3 — CID 36677446

IUPAC1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O3/c1-2-10-5-3-4-7-16(10)12(18)9-15-8-6-11(17)14-13(15)19/h6,8,10H,2-5,7,9H2,1H3,(H,14,17,19)/t10-/m0/s1
InChIKeyNEWDPNRHORWZRJ-JTQLQIEISA-N
MW265.31 g/mol
LogP0.33
Rot. Bonds3

About 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 36677446) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID36677446
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O3/c1-2-10-5-3-4-7-16(10)12(18)9-15-8-6-11(17)14-13(15)19/h6,8,10H,2-5,7,9H2,1H3,(H,14,17,19)/t10-/m0/s1
InChIKeyNEWDPNRHORWZRJ-JTQLQIEISA-N
XLogP0.33
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 4141057
5-(Cyclohexylmethylamino)-1,3-dihydropyrimidine-2,4-dione
CID 899001
N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
CID 71654889
1-(3-Piperidin-1-ylpropyl)pyrimidine-2,4-dione
CID 118713499
5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 745053
6-(3-Aminopiperidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 132372620
1-(Piperidin-3-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 137947129
N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 4798579
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 36677446) is 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is CC[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is NEWDPNRHORWZRJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-10-5-3-4-7-16(10)12(18)9-15-8-6-11(17)14-13(15)19/h6,8,10H,2-5,7,9H2,1H3,(H,14,17,19)/t10-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 265.31 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 36677446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).