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

C18H24N4O2 — CID 95895324

IUPAC6-[(2R)-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-/m1/s1
InChIKeyDIWSDVXBHOCGOR-QGZVFWFLSA-N
MW328.42 g/mol
LogP1.83
Rot. Bonds7

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

6-[(2R)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile (PubChem CID 95895324) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[(2R)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2R)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile
PubChem CID95895324
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-[(2R)-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-/m1/s1
InChIKeyDIWSDVXBHOCGOR-QGZVFWFLSA-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'}

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Related Compounds

5-[(2R)-1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile
CID 95870616
4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane
CID 95862468
6-(4-acetyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 64594721
4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine
CID 95889226
1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine
CID 56889455
1-[6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridazin-3-yl]azepane
CID 95199739
4-[(2R)-2-(6-ethyl-2-methylpyrimidin-4-yl)oxyhex-5-enyl]thiomorpholine
CID 95895117
N,N,4-trimethyl-6-[1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yloxy]pyrimidin-2-amine
CID 56910058
1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone
CID 53233963
4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine
CID 95870073
6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile
CID 133392332
morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone
CID 95877300

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 6-[(2R)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile (CID 95895324) is 6-[(2R)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 6-[(2R)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 6-[(2R)-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-[(2R)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile?
The InChIKey is DIWSDVXBHOCGOR-QGZVFWFLSA-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-/m1/s1.
What are the key properties of 6-[(2R)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile?
6-[(2R)-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-[(2R)-1-(4-acetylpiperazin-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 95895324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).