5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide

C20H31N5O2 — CID 58747971

IUPAC5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1cnc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C20H31N5O2/c1-21-20(26)18-13-23-19(14-22-18)25-11-7-17(8-12-25)27-16-5-9-24(10-6-16)15-3-2-4-15/h13-17H,2-12H2,1H3,(H,21,26)
InChIKeyPTGRQFAOWCPNOU-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.84
Rot. Bonds5

About 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide

5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide (PubChem CID 58747971) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide
PubChem CID58747971
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1cnc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C20H31N5O2/c1-21-20(26)18-13-23-19(14-22-18)25-11-7-17(8-12-25)27-16-5-9-24(10-6-16)15-3-2-4-15/h13-17H,2-12H2,1H3,(H,21,26)
InChIKeyPTGRQFAOWCPNOU-UHFFFAOYSA-N
XLogP1.84
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide (CID 58747971) is 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide is CNC(=O)c1cnc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1.
What is the InChIKey of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide?
The InChIKey is PTGRQFAOWCPNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-21-20(26)18-13-23-19(14-22-18)25-11-7-17(8-12-25)27-16-5-9-24(10-6-16)15-3-2-4-15/h13-17H,2-12H2,1H3,(H,21,26).
What are the key properties of 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide?
5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-N-methylpyrazine-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 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]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 58747971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).