6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile

C18H24N4O2 — CID 95895325

IUPAC6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile
SMILESC=CCC[C@@H](CN1CCN(C(C)=O)CC1)Oc1cccc(C#N)n1
InChIInChI=1S/C18H24N4O2/c1-3-4-7-17(24-18-8-5-6-16(13-19)20-18)14-21-9-11-22(12-10-21)15(2)23/h3,5-6,8,17H,1,4,7,9-12,14H2,2H3/t17-/m0/s1
InChIKeyDIWSDVXBHOCGOR-KRWDZBQOSA-N
MW328.42 g/mol
LogP1.83
Rot. Bonds7

About 6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile

6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile (PubChem CID 95895325) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile
PubChem CID95895325
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile
SMILESC=CCC[C@@H](CN1CCN(C(C)=O)CC1)Oc1cccc(C#N)n1
InChIInChI=1S/C18H24N4O2/c1-3-4-7-17(24-18-8-5-6-16(13-19)20-18)14-21-9-11-22(12-10-21)15(2)23/h3,5-6,8,17H,1,4,7,9-12,14H2,2H3/t17-/m0/s1
InChIKeyDIWSDVXBHOCGOR-KRWDZBQOSA-N
XLogP1.83
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile (CID 95895325) is 6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile is C=CCC[C@@H](CN1CCN(C(C)=O)CC1)Oc1cccc(C#N)n1.
What is the InChIKey of 6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile?
The InChIKey is DIWSDVXBHOCGOR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-4-7-17(24-18-8-5-6-16(13-19)20-18)14-21-9-11-22(12-10-21)15(2)23/h3,5-6,8,17H,1,4,7,9-12,14H2,2H3/t17-/m0/s1.
What are the key properties of 6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile?
6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile has a molecular weight of 328.42 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 95895325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).