N-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide

C13H20N4O — CID 23609084

IUPACN-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H20N4O/c1-2-5-16-13(18)11-3-8-17(9-4-11)12-10-14-6-7-15-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyROAKJJJKEUQVEL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.22
Rot. Bonds4

About N-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide

N-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 23609084) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID23609084
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H20N4O/c1-2-5-16-13(18)11-3-8-17(9-4-11)12-10-14-6-7-15-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyROAKJJJKEUQVEL-UHFFFAOYSA-N
XLogP1.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 23609084) is N-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is ROAKJJJKEUQVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-5-16-13(18)11-3-8-17(9-4-11)12-10-14-6-7-15-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,18).
What are the key properties of N-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 23609084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).