(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid

C12H15N3O3 — CID 30082310

IUPAC(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cnc(C(=O)N2CCC[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C12H15N3O3/c1-8-5-14-10(6-13-8)11(16)15-4-2-3-9(7-15)12(17)18/h5-6,9H,2-4,7H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyFFZHOPNDRGTMRA-VIFPVBQESA-N
MW249.27 g/mol
LogP0.72
Rot. Bonds2

About (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 30082310) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID30082310
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cnc(C(=O)N2CCC[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C12H15N3O3/c1-8-5-14-10(6-13-8)11(16)15-4-2-3-9(7-15)12(17)18/h5-6,9H,2-4,7H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyFFZHOPNDRGTMRA-VIFPVBQESA-N
XLogP0.72
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 78919443
N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide
CID 77041745
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 42783454
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 107971610
(3S)-1-(2-chloro-6-methylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid
CID 114219391
(3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 1031755
(3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
CID 100802472

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid (CID 30082310) is (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid is Cc1cnc(C(=O)N2CCC[C@H](C(=O)O)C2)cn1.
What is the InChIKey of (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is FFZHOPNDRGTMRA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-5-14-10(6-13-8)11(16)15-4-2-3-9(7-15)12(17)18/h5-6,9H,2-4,7H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 30082310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).