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

C13H17N3O2 — CID 170788601

IUPAC1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C2CCN(c3cnccn3)CC2)CC1
InChIInChI=1S/C13H17N3O2/c17-12(18)13(3-4-13)10-1-7-16(8-2-10)11-9-14-5-6-15-11/h5-6,9-10H,1-4,7-8H2,(H,17,18)
InChIKeyQSCBTXCVSHZGMC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.56
Rot. Bonds3

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

1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 170788601) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid
PubChem CID170788601
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C2CCN(c3cnccn3)CC2)CC1
InChIInChI=1S/C13H17N3O2/c17-12(18)13(3-4-13)10-1-7-16(8-2-10)11-9-14-5-6-15-11/h5-6,9-10H,1-4,7-8H2,(H,17,18)
InChIKeyQSCBTXCVSHZGMC-UHFFFAOYSA-N
XLogP1.56
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid (CID 170788601) is 1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(C2CCN(c3cnccn3)CC2)CC1.
What is the InChIKey of 1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is QSCBTXCVSHZGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-12(18)13(3-4-13)10-1-7-16(8-2-10)11-9-14-5-6-15-11/h5-6,9-10H,1-4,7-8H2,(H,17,18).
What are the key properties of 1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid?
1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 247.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrazin-2-ylpiperidin-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 170788601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).