2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid

C19H24N4O3 — CID 125019773

IUPAC2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESNc1nccnc1C[C@H]1CCCN(Cc2ccc(OCC(=O)O)cc2)C1
InChIInChI=1S/C19H24N4O3/c20-19-17(21-7-8-22-19)10-15-2-1-9-23(12-15)11-14-3-5-16(6-4-14)26-13-18(24)25/h3-8,15H,1-2,9-13H2,(H2,20,22)(H,24,25)/t15-/m1/s1
InChIKeyXYGFRIRYQXKNOU-OAHLLOKOSA-N
MW356.43 g/mol
LogP1.98
Rot. Bonds7

About 2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid

2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 125019773) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID125019773
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESNc1nccnc1C[C@H]1CCCN(Cc2ccc(OCC(=O)O)cc2)C1
InChIInChI=1S/C19H24N4O3/c20-19-17(21-7-8-22-19)10-15-2-1-9-23(12-15)11-14-3-5-16(6-4-14)26-13-18(24)25/h3-8,15H,1-2,9-13H2,(H2,20,22)(H,24,25)/t15-/m1/s1
InChIKeyXYGFRIRYQXKNOU-OAHLLOKOSA-N
XLogP1.98
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

3-[[1-(pyrimidin-5-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113118
2-[4-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]phenoxy]acetic acid
CID 124977007
3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113146
3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113201
3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113122
2-[4-[[(3S,4S)-3,4-dihydroxypiperidin-1-yl]methyl]phenoxy]acetic acid
CID 74233182
2-[4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 99930607
3-[[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 124963052
2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 61206346
2-[2-ethoxy-4-[[3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 110152190
1-[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125012200
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid (CID 125019773) is 2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid is Nc1nccnc1C[C@H]1CCCN(Cc2ccc(OCC(=O)O)cc2)C1.
What is the InChIKey of 2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is XYGFRIRYQXKNOU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O3/c20-19-17(21-7-8-22-19)10-15-2-1-9-23(12-15)11-14-3-5-16(6-4-14)26-13-18(24)25/h3-8,15H,1-2,9-13H2,(H2,20,22)(H,24,25)/t15-/m1/s1.
What are the key properties of 2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid?
2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 356.43 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 125019773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).