3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid

C18H20N4O4 — CID 126430008

IUPAC3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
SMILESCOc1cc(C(=O)O)cc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C18H20N4O4/c1-26-15-8-12(7-13(9-15)18(24)25)17(23)21-14-3-2-6-22(11-14)16-10-19-4-5-20-16/h4-5,7-10,14H,2-3,6,11H2,1H3,(H,21,23)(H,24,25)/t14-/m0/s1
InChIKeyUSKLYRBSFBUZCF-AWEZNQCLSA-N
MW356.38 g/mol
LogP1.58
Rot. Bonds5

About 3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid

3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid (PubChem CID 126430008) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
PubChem CID126430008
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
SMILESCOc1cc(C(=O)O)cc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C18H20N4O4/c1-26-15-8-12(7-13(9-15)18(24)25)17(23)21-14-3-2-6-22(11-14)16-10-19-4-5-20-16/h4-5,7-10,14H,2-3,6,11H2,1H3,(H,21,23)(H,24,25)/t14-/m0/s1
InChIKeyUSKLYRBSFBUZCF-AWEZNQCLSA-N
XLogP1.58
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 126442521
3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126433211
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
2,6-dimethoxy-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]pyridine-3-carboxamide
CID 99976530
4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126448073
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 99930841
5-(2-methylpropyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 91838367
1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide
CID 126429000
4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide
CID 119062377
4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 53181016

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid?
The IUPAC name of 3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid (CID 126430008) is 3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid?
The canonical SMILES for 3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid is COc1cc(C(=O)O)cc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)c1.
What is the InChIKey of 3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid?
The InChIKey is USKLYRBSFBUZCF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-26-15-8-12(7-13(9-15)18(24)25)17(23)21-14-3-2-6-22(11-14)16-10-19-4-5-20-16/h4-5,7-10,14H,2-3,6,11H2,1H3,(H,21,23)(H,24,25)/t14-/m0/s1.
What are the key properties of 3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid?
3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid has a molecular weight of 356.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 126430008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).