4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile

C17H18N4O2 — CID 121305741

IUPAC4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile
SMILESCC(=O)N1CCCC(c2[nH]ncc2Oc2ccc(C#N)cc2)C1
InChIInChI=1S/C17H18N4O2/c1-12(22)21-8-2-3-14(11-21)17-16(10-19-20-17)23-15-6-4-13(9-18)5-7-15/h4-7,10,14H,2-3,8,11H2,1H3,(H,19,20)
InChIKeyLANBSSUAZUWBJO-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.80
Rot. Bonds3

About 4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile

4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile (PubChem CID 121305741) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile.

Molecular Properties

Compound Name4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile
PubChem CID121305741
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile
SMILESCC(=O)N1CCCC(c2[nH]ncc2Oc2ccc(C#N)cc2)C1
InChIInChI=1S/C17H18N4O2/c1-12(22)21-8-2-3-14(11-21)17-16(10-19-20-17)23-15-6-4-13(9-18)5-7-15/h4-7,10,14H,2-3,8,11H2,1H3,(H,19,20)
InChIKeyLANBSSUAZUWBJO-UHFFFAOYSA-N
XLogP2.80
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile
CID 121305676
4-(1-acetylazetidin-3-yl)benzonitrile
CID 123882801
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
4-[(2S)-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 96514389
4-[1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 71926860
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
5-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 95188082
4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
2-[(3S)-1-acetylpyrrolidin-3-yl]-3H-benzimidazole-5-carbonitrile
CID 51137025
1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 56738196
4-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 94021811
4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile
CID 121305727

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile?
The IUPAC name of 4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile (CID 121305741) is 4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile.
What is the SMILES notation for 4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile?
The canonical SMILES for 4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile is CC(=O)N1CCCC(c2[nH]ncc2Oc2ccc(C#N)cc2)C1.
What is the InChIKey of 4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile?
The InChIKey is LANBSSUAZUWBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(22)21-8-2-3-14(11-21)17-16(10-19-20-17)23-15-6-4-13(9-18)5-7-15/h4-7,10,14H,2-3,8,11H2,1H3,(H,19,20).
What are the key properties of 4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile?
4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile has a molecular weight of 310.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile is sourced from PubChem (CID 121305741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).