(3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one

C21H30N6O4 — CID 175514288

IUPAC(3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one
SMILESCc1nccn([C@@H]2CCCN(C(=O)O)C2)c1=O.Cc1nccn([C@@H]2CCCNC2)c1=O
InChIInChI=1S/C11H15N3O3.C10H15N3O/c1-8-10(15)14(6-4-12-8)9-3-2-5-13(7-9)11(16)17;1-8-10(14)13(6-5-12-8)9-3-2-4-11-7-9/h4,6,9H,2-3,5,7H2,1H3,(H,16,17);5-6,9,11H,2-4,7H2,1H3/t2*9-/m11/s1
InChIKeyPIWIZYZBSISGJG-USJXWOKUSA-N
MW430.51 g/mol
LogP1.34
Rot. Bonds2

About (3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one

(3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one (PubChem CID 175514288) has the molecular formula C21H30N6O4 and a molecular weight of 430.51 g/mol. Its IUPAC name is (3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one.

Molecular Properties

Compound Name(3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one
PubChem CID175514288
Molecular FormulaC21H30N6O4
Molecular Weight430.51 g/mol
Exact Mass430.23
IUPAC Name(3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one
SMILESCc1nccn([C@@H]2CCCN(C(=O)O)C2)c1=O.Cc1nccn([C@@H]2CCCNC2)c1=O
InChIInChI=1S/C11H15N3O3.C10H15N3O/c1-8-10(15)14(6-4-12-8)9-3-2-5-13(7-9)11(16)17;1-8-10(14)13(6-5-12-8)9-3-2-4-11-7-9/h4,6,9H,2-3,5,7H2,1H3,(H,16,17);5-6,9,11H,2-4,7H2,1H3/t2*9-/m11/s1
InChIKeyPIWIZYZBSISGJG-USJXWOKUSA-N
XLogP1.34
TPSA122.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

3-(2-methylimidazol-1-yl)piperidine;dihydrochloride
CID 54592668
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119881376
1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 95606434
1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone
CID 156583748
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119881407
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081545
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone
CID 95606419
(2R)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylpropan-1-one
CID 95339999
3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid
CID 124510052
(2S)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95324257
(4S)-1-cyclopentyl-4-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95336680

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one?
The IUPAC name of (3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one (CID 175514288) is (3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one.
What is the SMILES notation for (3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one?
The canonical SMILES for (3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one is Cc1nccn([C@@H]2CCCN(C(=O)O)C2)c1=O.Cc1nccn([C@@H]2CCCNC2)c1=O.
What is the InChIKey of (3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one?
The InChIKey is PIWIZYZBSISGJG-USJXWOKUSA-N. The full InChI is InChI=1S/C11H15N3O3.C10H15N3O/c1-8-10(15)14(6-4-12-8)9-3-2-5-13(7-9)11(16)17;1-8-10(14)13(6-5-12-8)9-3-2-4-11-7-9/h4,6,9H,2-3,5,7H2,1H3,(H,16,17);5-6,9,11H,2-4,7H2,1H3/t2*9-/m11/s1.
What are the key properties of (3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one?
(3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one has a molecular weight of 430.51 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one is sourced from PubChem (CID 175514288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).