4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile

C15H19N3O2 — CID 153358140

IUPAC4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile
SMILESCOCCC(=O)N1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H19N3O2/c1-20-11-6-15(19)18-9-7-17(8-10-18)14-4-2-13(12-16)3-5-14/h2-5H,6-11H2,1H3
InChIKeyVZRQRNHBJHUVFQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.24
Rot. Bonds4

About 4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile

4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile (PubChem CID 153358140) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile
PubChem CID153358140
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile
SMILESCOCCC(=O)N1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H19N3O2/c1-20-11-6-15(19)18-9-7-17(8-10-18)14-4-2-13(12-16)3-5-14/h2-5H,6-11H2,1H3
InChIKeyVZRQRNHBJHUVFQ-UHFFFAOYSA-N
XLogP1.24
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(diethylamino)acetyl]piperazin-1-yl]benzonitrile
CID 133287871
4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile
CID 131887743
6-[6-hydroxy-4-(3-methoxypropanoyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 74241541
methyl 2-[4-(4-cyanophenyl)piperazin-1-yl]acetate
CID 19391362
4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile
CID 113081045
4-tert-butyl-N-[3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-3-oxopropyl]benzamide
CID 55715854
N-(4-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113135063
4-[4-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,4-diazepan-1-yl]benzonitrile
CID 55831676
4-[4-[4-(4-chloro-3-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]benzonitrile
CID 55715919
4-[4-(4-naphthalen-1-yloxybutanoyl)-1,4-diazepan-1-yl]benzonitrile
CID 55716214
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
methyl 4-[4-(4-cyanophenyl)piperazin-1-yl]butanoate
CID 177042407

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile?
The IUPAC name of 4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile (CID 153358140) is 4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile is COCCC(=O)N1CCN(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile?
The InChIKey is VZRQRNHBJHUVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-11-6-15(19)18-9-7-17(8-10-18)14-4-2-13(12-16)3-5-14/h2-5H,6-11H2,1H3.
What are the key properties of 4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile?
4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile has a molecular weight of 273.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 153358140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).