6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C15H16N4O3 — CID 95871248

IUPAC6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC[C@@H]1c1ccccn1
InChIInChI=1S/C15H16N4O3/c20-13-9-11(17-15(22)18-13)14(21)19-8-4-2-6-12(19)10-5-1-3-7-16-10/h1,3,5,7,9,12H,2,4,6,8H2,(H2,17,18,20,22)/t12-/m1/s1
InChIKeyLJUNETIAZCVLGN-GFCCVEGCSA-N
MW300.32 g/mol
LogP0.83
Rot. Bonds2

About 6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 95871248) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID95871248
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC[C@@H]1c1ccccn1
InChIInChI=1S/C15H16N4O3/c20-13-9-11(17-15(22)18-13)14(21)19-8-4-2-6-12(19)10-5-1-3-7-16-10/h1,3,5,7,9,12H,2,4,6,8H2,(H2,17,18,20,22)/t12-/m1/s1
InChIKeyLJUNETIAZCVLGN-GFCCVEGCSA-N
XLogP0.83
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 125015418
[(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 99971779
6-[2-(3-methoxyphenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70774580
(6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 178095403
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95868392
4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 99953113
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
6-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 124944113
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95894350
6-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 124946116
[(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 97137913
3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 47380030

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 95871248) is 6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC[C@@H]1c1ccccn1.
What is the InChIKey of 6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LJUNETIAZCVLGN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-13-9-11(17-15(22)18-13)14(21)19-8-4-2-6-12(19)10-5-1-3-7-16-10/h1,3,5,7,9,12H,2,4,6,8H2,(H2,17,18,20,22)/t12-/m1/s1.
What are the key properties of 6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 300.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95871248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).