[(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C15H20N4O — CID 42022790

IUPAC[(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C([C@@H]1CC=CCC1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H20N4O/c20-15(13-4-2-1-3-5-13)19-10-8-18(9-11-19)14-12-16-6-7-17-14/h1-2,6-7,12-13H,3-5,8-11H2/t13-/m1/s1
InChIKeyLZPBCQOIVKHGAX-CYBMUJFWSA-N
MW272.35 g/mol
LogP1.48
Rot. Bonds2

About [(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 42022790) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID42022790
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C([C@@H]1CC=CCC1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H20N4O/c20-15(13-4-2-1-3-5-13)19-10-8-18(9-11-19)14-12-16-6-7-17-14/h1-2,6-7,12-13H,3-5,8-11H2/t13-/m1/s1
InChIKeyLZPBCQOIVKHGAX-CYBMUJFWSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 42022790) is [(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is O=C([C@@H]1CC=CCC1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LZPBCQOIVKHGAX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c20-15(13-4-2-1-3-5-13)19-10-8-18(9-11-19)14-12-16-6-7-17-14/h1-2,6-7,12-13H,3-5,8-11H2/t13-/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42022790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).