3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid

C17H20N4O2 — CID 95827209

IUPAC3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1cccc([C@H]2CCCN(c3cnccn3)C2)n1
InChIInChI=1S/C17H20N4O2/c22-17(23)7-6-14-4-1-5-15(20-14)13-3-2-10-21(12-13)16-11-18-8-9-19-16/h1,4-5,8-9,11,13H,2-3,6-7,10,12H2,(H,22,23)/t13-/m0/s1
InChIKeyCMTWNWWSFNFETO-ZDUSSCGKSA-N
MW312.37 g/mol
LogP2.27
Rot. Bonds5

About 3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid

3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid (PubChem CID 95827209) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
PubChem CID95827209
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1cccc([C@H]2CCCN(c3cnccn3)C2)n1
InChIInChI=1S/C17H20N4O2/c22-17(23)7-6-14-4-1-5-15(20-14)13-3-2-10-21(12-13)16-11-18-8-9-19-16/h1,4-5,8-9,11,13H,2-3,6-7,10,12H2,(H,22,23)/t13-/m0/s1
InChIKeyCMTWNWWSFNFETO-ZDUSSCGKSA-N
XLogP2.27
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 95804855
3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 124938907
3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 110258258
N-methyl-6-(1-pyrazin-2-ylpiperidin-3-yl)pyridin-2-amine
CID 110269026
2-[(3S)-3-pyridin-2-ylpiperidin-1-yl]pyrazine
CID 95817344
3-[2-methyl-6-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-4-yl]propanoic acid
CID 95827217
N-[6-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 110269836
3-[1-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methyl]triazol-4-yl]propanoic acid
CID 31125379
3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid
CID 110258280
3-[2-methyl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-4-yl]propanoic acid
CID 110256796
N-methyl-6-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 95840808
N,N-dimethyl-3-[6-[(3R)-1-methylpiperidin-3-yl]-2-pyridinyl]propanamide
CID 95842659

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid?
The IUPAC name of 3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid (CID 95827209) is 3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid is O=C(O)CCc1cccc([C@H]2CCCN(c3cnccn3)C2)n1.
What is the InChIKey of 3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid?
The InChIKey is CMTWNWWSFNFETO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(23)7-6-14-4-1-5-15(20-14)13-3-2-10-21(12-13)16-11-18-8-9-19-16/h1,4-5,8-9,11,13H,2-3,6-7,10,12H2,(H,22,23)/t13-/m0/s1.
What are the key properties of 3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid?
3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid has a molecular weight of 312.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid is sourced from PubChem (CID 95827209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).