5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one

C13H19N3O3 — CID 99983565

IUPAC5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCCCO[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C13H19N3O3/c1-2-6-19-10-4-3-5-16(9-10)13(18)11-7-15-12(17)8-14-11/h7-8,10H,2-6,9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyFKXIOTAQXSSYSN-SNVBAGLBSA-N
MW265.31 g/mol
LogP0.80
Rot. Bonds4

About 5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one

5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 99983565) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID99983565
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCCCO[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C13H19N3O3/c1-2-6-19-10-4-3-5-16(9-10)13(18)11-7-15-12(17)8-14-11/h7-8,10H,2-6,9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyFKXIOTAQXSSYSN-SNVBAGLBSA-N
XLogP0.80
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748316
(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 62233136
1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 61171911
3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one
CID 95588730
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 125156471
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 105388188
[6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 81238498

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one (CID 99983565) is 5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one is CCCO[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of 5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is FKXIOTAQXSSYSN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-6-19-10-4-3-5-16(9-10)13(18)11-7-15-12(17)8-14-11/h7-8,10H,2-6,9H2,1H3,(H,15,17)/t10-/m1/s1.
What are the key properties of 5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 265.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 99983565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).