2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile

C14H17N3O2 — CID 63337799

IUPAC2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C14H17N3O2/c1-11(10-15)16-6-8-17(9-7-16)14(19)12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3
InChIKeyOZOWYXOUNHCYNJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.06
Rot. Bonds2

About 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile

2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile (PubChem CID 63337799) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
PubChem CID63337799
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C14H17N3O2/c1-11(10-15)16-6-8-17(9-7-16)14(19)12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3
InChIKeyOZOWYXOUNHCYNJ-UHFFFAOYSA-N
XLogP1.06
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,4-dihydroxybenzoyl)piperazin-1-yl]propanenitrile
CID 107722008
2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
CID 63337723
2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile
CID 107671430
2-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]propanenitrile
CID 63337420
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337547
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanethioamide
CID 63339627
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337633
2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337718
2-[4-(4-ethylbenzoyl)piperazin-1-yl]propanenitrile
CID 63337287
2-[4-(2-bromo-6-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 114559212
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
4-(1-cyanoethyl)piperazine-1-carboxamide
CID 63341285

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile (CID 63337799) is 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile is CC(C#N)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile?
The InChIKey is OZOWYXOUNHCYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(10-15)16-6-8-17(9-7-16)14(19)12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3.
What are the key properties of 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile?
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile has a molecular weight of 259.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 63337799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).