5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid

C13H17N3O4 — CID 120685568

IUPAC5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESCOCC1CCCN(C(=O)c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C13H17N3O4/c1-20-8-9-3-2-4-16(7-9)12(17)10-5-15-11(6-14-10)13(18)19/h5-6,9H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyCRHKVBCNFCRTBR-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.67
Rot. Bonds4

About 5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid

5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid (PubChem CID 120685568) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
PubChem CID120685568
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESCOCC1CCCN(C(=O)c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C13H17N3O4/c1-20-8-9-3-2-4-16(7-9)12(17)10-5-15-11(6-14-10)13(18)19/h5-6,9H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyCRHKVBCNFCRTBR-UHFFFAOYSA-N
XLogP0.67
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103187237
3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid
CID 107370092
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 113268061
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120689034
[5-(ethylamino)pyrazin-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 107374588
(3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378136
6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 64598709
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 28957540
[3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
CID 106588798

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid (CID 120685568) is 5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid is COCC1CCCN(C(=O)c2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
The InChIKey is CRHKVBCNFCRTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-20-8-9-3-2-4-16(7-9)12(17)10-5-15-11(6-14-10)13(18)19/h5-6,9H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of 5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).