1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one

C20H19ClN2O3 — CID 121378032

IUPAC1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(=O)c2ccc(O)cc2-c2ccccc2Cl)CC1
InChIInChI=1S/C20H19ClN2O3/c1-2-19(25)22-9-11-23(12-10-22)20(26)16-8-7-14(24)13-17(16)15-5-3-4-6-18(15)21/h2-8,13,24H,1,9-12H2
InChIKeyBEYRPBDGRKFDDV-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.18
Rot. Bonds3

About 1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one

1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 121378032) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one
PubChem CID121378032
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(=O)c2ccc(O)cc2-c2ccccc2Cl)CC1
InChIInChI=1S/C20H19ClN2O3/c1-2-19(25)22-9-11-23(12-10-22)20(26)16-8-7-14(24)13-17(16)15-5-3-4-6-18(15)21/h2-8,13,24H,1,9-12H2
InChIKeyBEYRPBDGRKFDDV-UHFFFAOYSA-N
XLogP3.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one
CID 118982365
1-[4-[4-(4-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166412687
1-[4-[7-chloro-6-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118010164
[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295
1-[4-[4-chloro-5-(2-chlorophenyl)-2-methoxybenzoyl]piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 123239908
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
(2-chloro-5-hydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 106501434
[4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone
CID 121247762
2-[(Z)-1-amino-2-(2-amino-4-chloro-1H-pyrrol-3-yl)ethenyl]phenol;1-pyrrolidin-1-ylprop-2-en-1-one
CID 177023195
1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone
CID 11955507
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one (CID 121378032) is 1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(C(=O)c2ccc(O)cc2-c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one?
The InChIKey is BEYRPBDGRKFDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-2-19(25)22-9-11-23(12-10-22)20(26)16-8-7-14(24)13-17(16)15-5-3-4-6-18(15)21/h2-8,13,24H,1,9-12H2.
What are the key properties of 1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one?
1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 370.84 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 121378032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).