N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide

C15H24N4O — CID 3222636

IUPACN-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H24N4O/c1-4-15(2,3)18-14(20)12-5-9-19(10-6-12)13-11-16-7-8-17-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,20)
InChIKeyAMVRYNIDGLPOJI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.00
Rot. Bonds4

About N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide

N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 3222636) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID3222636
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H24N4O/c1-4-15(2,3)18-14(20)12-5-9-19(10-6-12)13-11-16-7-8-17-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,20)
InChIKeyAMVRYNIDGLPOJI-UHFFFAOYSA-N
XLogP2.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 3222636) is N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide is CCC(C)(C)NC(=O)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is AMVRYNIDGLPOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-15(2,3)18-14(20)12-5-9-19(10-6-12)13-11-16-7-8-17-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3222636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).