3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide

C13H21N5O — CID 62684381

IUPAC3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCCC(OCCC)C1
InChIInChI=1S/C13H21N5O/c1-2-8-19-10-4-3-7-18(9-10)13-11(12(14)15)16-5-6-17-13/h5-6,10H,2-4,7-9H2,1H3,(H3,14,15)
InChIKeyQCYISCUSKKBNHO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.16
Rot. Bonds5

About 3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide

3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide (PubChem CID 62684381) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide
PubChem CID62684381
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCCC(OCCC)C1
InChIInChI=1S/C13H21N5O/c1-2-8-19-10-4-3-7-18(9-10)13-11(12(14)15)16-5-6-17-13/h5-6,10H,2-4,7-9H2,1H3,(H3,14,15)
InChIKeyQCYISCUSKKBNHO-UHFFFAOYSA-N
XLogP1.16
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide?
The IUPAC name of 3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide (CID 62684381) is 3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N1CCCC(OCCC)C1.
What is the InChIKey of 3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide?
The InChIKey is QCYISCUSKKBNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-8-19-10-4-3-7-18(9-10)13-11(12(14)15)16-5-6-17-13/h5-6,10H,2-4,7-9H2,1H3,(H3,14,15).
What are the key properties of 3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide?
3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide is sourced from PubChem (CID 62684381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).