1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide

C15H24N4O — CID 72875738

IUPAC1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NCCc2cnccn2)CC1
InChIInChI=1S/C15H24N4O/c1-12(2)19-9-4-13(5-10-19)15(20)18-6-3-14-11-16-7-8-17-14/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyKGFKIYYHYJNLDE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.26
Rot. Bonds5

About 1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide

1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide (PubChem CID 72875738) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide
PubChem CID72875738
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NCCc2cnccn2)CC1
InChIInChI=1S/C15H24N4O/c1-12(2)19-9-4-13(5-10-19)15(20)18-6-3-14-11-16-7-8-17-14/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyKGFKIYYHYJNLDE-UHFFFAOYSA-N
XLogP1.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide (CID 72875738) is 1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide is CC(C)N1CCC(C(=O)NCCc2cnccn2)CC1.
What is the InChIKey of 1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is KGFKIYYHYJNLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)19-9-4-13(5-10-19)15(20)18-6-3-14-11-16-7-8-17-14/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,18,20).
What are the key properties of 1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide?
1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 72875738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).