1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid

C18H20ClN3O4 — CID 167949849

IUPAC1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid
SMILESCOC1CC(C(=O)O)CN(c2cncc(OCc3cccc(Cl)c3)n2)C1
InChIInChI=1S/C18H20ClN3O4/c1-25-15-6-13(18(23)24)9-22(10-15)16-7-20-8-17(21-16)26-11-12-3-2-4-14(19)5-12/h2-5,7-8,13,15H,6,9-11H2,1H3,(H,23,24)
InChIKeyFWVWTYUZQJZKDV-UHFFFAOYSA-N
MW377.83 g/mol
LogP2.63
Rot. Bonds6

About 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid

1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid (PubChem CID 167949849) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid
PubChem CID167949849
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid
SMILESCOC1CC(C(=O)O)CN(c2cncc(OCc3cccc(Cl)c3)n2)C1
InChIInChI=1S/C18H20ClN3O4/c1-25-15-6-13(18(23)24)9-22(10-15)16-7-20-8-17(21-16)26-11-12-3-2-4-14(19)5-12/h2-5,7-8,13,15H,6,9-11H2,1H3,(H,23,24)
InChIKeyFWVWTYUZQJZKDV-UHFFFAOYSA-N
XLogP2.63
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048524
2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 171678769
4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133378215
5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole
CID 171678776
4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133365129
2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol
CID 133381567
trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol
CID 133495474
2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine
CID 22482026
(3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 58284767
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121740
(1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 133448139
2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
CID 128978128

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid?
The IUPAC name of 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid (CID 167949849) is 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid?
The canonical SMILES for 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid is COC1CC(C(=O)O)CN(c2cncc(OCc3cccc(Cl)c3)n2)C1.
What is the InChIKey of 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid?
The InChIKey is FWVWTYUZQJZKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-25-15-6-13(18(23)24)9-22(10-15)16-7-20-8-17(21-16)26-11-12-3-2-4-14(19)5-12/h2-5,7-8,13,15H,6,9-11H2,1H3,(H,23,24).
What are the key properties of 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid?
1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid has a molecular weight of 377.83 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid is sourced from PubChem (CID 167949849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).