5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde

C19H28N4O2 — CID 142998011

IUPAC5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde
SMILESO=Cc1cnc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C19H28N4O2/c24-14-15-12-21-19(13-20-15)23-10-6-18(7-11-23)25-17-4-8-22(9-5-17)16-2-1-3-16/h12-14,16-18H,1-11H2
InChIKeyMEDYGLKVUHOOKB-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.29
Rot. Bonds5

About 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde

5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde (PubChem CID 142998011) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde
PubChem CID142998011
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde
SMILESO=Cc1cnc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C19H28N4O2/c24-14-15-12-21-19(13-20-15)23-10-6-18(7-11-23)25-17-4-8-22(9-5-17)16-2-1-3-16/h12-14,16-18H,1-11H2
InChIKeyMEDYGLKVUHOOKB-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde?
The IUPAC name of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde (CID 142998011) is 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde.
What is the SMILES notation for 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde?
The canonical SMILES for 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde is O=Cc1cnc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1.
What is the InChIKey of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde?
The InChIKey is MEDYGLKVUHOOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-14-15-12-21-19(13-20-15)23-10-6-18(7-11-23)25-17-4-8-22(9-5-17)16-2-1-3-16/h12-14,16-18H,1-11H2.
What are the key properties of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde?
5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde has a molecular weight of 344.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyrazine-2-carbaldehyde is sourced from PubChem (CID 142998011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).