N-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide

C13H20N4O — CID 3222635

IUPACN-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H20N4O/c1-10(2)16-13(18)11-3-7-17(8-4-11)12-9-14-5-6-15-12/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyZLYVHBAOWDKOQU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.22
Rot. Bonds3

About N-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide

N-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 3222635) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID3222635
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H20N4O/c1-10(2)16-13(18)11-3-7-17(8-4-11)12-9-14-5-6-15-12/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyZLYVHBAOWDKOQU-UHFFFAOYSA-N
XLogP1.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 3222635) is N-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is ZLYVHBAOWDKOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(2)16-13(18)11-3-7-17(8-4-11)12-9-14-5-6-15-12/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3222635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).