1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid

C14H20N4O2 — CID 61019645

IUPAC1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H20N4O2/c19-14(20)12-2-1-7-18(12)11-3-8-17(9-4-11)13-10-15-5-6-16-13/h5-6,10-12H,1-4,7-9H2,(H,19,20)
InChIKeyROMOFVJAFBUBGB-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.99
Rot. Bonds3

About 1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid

1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 61019645) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID61019645
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H20N4O2/c19-14(20)12-2-1-7-18(12)11-3-8-17(9-4-11)13-10-15-5-6-16-13/h5-6,10-12H,1-4,7-9H2,(H,19,20)
InChIKeyROMOFVJAFBUBGB-UHFFFAOYSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid (CID 61019645) is 1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ROMOFVJAFBUBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-14(20)12-2-1-7-18(12)11-3-8-17(9-4-11)13-10-15-5-6-16-13/h5-6,10-12H,1-4,7-9H2,(H,19,20).
What are the key properties of 1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61019645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).