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

C14H16ClN3O2 — CID 63337723

IUPAC2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(C(=O)c2ccc(Cl)cc2O)CC1
InChIInChI=1S/C14H16ClN3O2/c1-10(9-16)17-4-6-18(7-5-17)14(20)12-3-2-11(15)8-13(12)19/h2-3,8,10,19H,4-7H2,1H3
InChIKeyNAMCMPHHNYXUOK-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.72
Rot. Bonds2

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

2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile (PubChem CID 63337723) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
PubChem CID63337723
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(C(=O)c2ccc(Cl)cc2O)CC1
InChIInChI=1S/C14H16ClN3O2/c1-10(9-16)17-4-6-18(7-5-17)14(20)12-3-2-11(15)8-13(12)19/h2-3,8,10,19H,4-7H2,1H3
InChIKeyNAMCMPHHNYXUOK-UHFFFAOYSA-N
XLogP1.72
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337547
2-[4-(2,4-dihydroxybenzoyl)piperazin-1-yl]propanenitrile
CID 107722008
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
CID 63337799
2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile
CID 107671430
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-(3-chloro-5-methylbenzoyl)piperazin-1-yl]propanenitrile
CID 81323569
1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one
CID 24706727
(4-chloro-2-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039260
(4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 56904274
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile (CID 63337723) is 2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile is CC(C#N)N1CCN(C(=O)c2ccc(Cl)cc2O)CC1.
What is the InChIKey of 2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile?
The InChIKey is NAMCMPHHNYXUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-10(9-16)17-4-6-18(7-5-17)14(20)12-3-2-11(15)8-13(12)19/h2-3,8,10,19H,4-7H2,1H3.
What are the key properties of 2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile?
2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile has a molecular weight of 293.75 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 63337723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).