N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide

C15H25N5O — CID 33388334

IUPACN-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCCCCCCNC(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H25N5O/c1-2-3-4-5-6-18-15(21)20-11-9-19(10-12-20)14-13-16-7-8-17-14/h7-8,13H,2-6,9-12H2,1H3,(H,18,21)
InChIKeyAYPZNJHWHRYVKB-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.89
Rot. Bonds6

About N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide

N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 33388334) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID33388334
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCCCCCCNC(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H25N5O/c1-2-3-4-5-6-18-15(21)20-11-9-19(10-12-20)14-13-16-7-8-17-14/h7-8,13H,2-6,9-12H2,1H3,(H,18,21)
InChIKeyAYPZNJHWHRYVKB-UHFFFAOYSA-N
XLogP1.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide (CID 33388334) is N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide is CCCCCCNC(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is AYPZNJHWHRYVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-2-3-4-5-6-18-15(21)20-11-9-19(10-12-20)14-13-16-7-8-17-14/h7-8,13H,2-6,9-12H2,1H3,(H,18,21).
What are the key properties of N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide?
N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 33388334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).