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

C15H19ClN2O3 — CID 108568144

IUPAC4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCCl)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C15H19ClN2O3/c16-7-3-6-14(20)17-8-10-18(11-9-17)15(21)12-4-1-2-5-13(12)19/h1-2,4-5,19H,3,6-11H2
InChIKeySTWIPHFWUXXMOV-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.70
Rot. Bonds4

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

4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one (PubChem CID 108568144) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one
PubChem CID108568144
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCCl)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C15H19ClN2O3/c16-7-3-6-14(20)17-8-10-18(11-9-17)15(21)12-4-1-2-5-13(12)19/h1-2,4-5,19H,3,6-11H2
InChIKeySTWIPHFWUXXMOV-UHFFFAOYSA-N
XLogP1.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one
CID 108569239
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
CID 108534806
4-chloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567685
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108560135
2-[3-[4-(4-chlorobutanoyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 108568447
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 110365468
2-[4-[4-(2-hydroxybenzoyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
CID 55646044
[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750501
2-[4-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 108534445
3-[6-[4-(2-hydroxybenzoyl)piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 55646127
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione
CID 55851103
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one (CID 108568144) is 4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one is O=C(CCCCl)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of 4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one?
The InChIKey is STWIPHFWUXXMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-7-3-6-14(20)17-8-10-18(11-9-17)15(21)12-4-1-2-5-13(12)19/h1-2,4-5,19H,3,6-11H2.
What are the key properties of 4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one?
4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one has a molecular weight of 310.78 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 108568144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).