2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone

C17H25N3O3 — CID 83977979

IUPAC2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone
SMILESO=C(C(c1cccc(O)c1)N1CCNCC1)N1CCC(O)CC1
InChIInChI=1S/C17H25N3O3/c21-14-4-8-20(9-5-14)17(23)16(19-10-6-18-7-11-19)13-2-1-3-15(22)12-13/h1-3,12,14,16,18,21-22H,4-11H2
InChIKeyGXQSVNPZFACIRK-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.32
Rot. Bonds3

About 2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone

2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone (PubChem CID 83977979) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone
PubChem CID83977979
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone
SMILESO=C(C(c1cccc(O)c1)N1CCNCC1)N1CCC(O)CC1
InChIInChI=1S/C17H25N3O3/c21-14-4-8-20(9-5-14)17(23)16(19-10-6-18-7-11-19)13-2-1-3-15(22)12-13/h1-3,12,14,16,18,21-22H,4-11H2
InChIKeyGXQSVNPZFACIRK-UHFFFAOYSA-N
XLogP0.32
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone 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

2-(3-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 83977975
methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894645
2-(1,4-diazepan-1-yl)-2-(3-hydroxyphenyl)acetic acid
CID 54890579
ethyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894698
2-(3-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanethioamide
CID 84750146
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
1-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanone
CID 112539372
2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 111561979
1-(azepan-1-yl)-2-(2-ethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 112539341
1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
CID 83980030
2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid
CID 79984509

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone (CID 83977979) is 2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone is O=C(C(c1cccc(O)c1)N1CCNCC1)N1CCC(O)CC1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone?
The InChIKey is GXQSVNPZFACIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-14-4-8-20(9-5-14)17(23)16(19-10-6-18-7-11-19)13-2-1-3-15(22)12-13/h1-3,12,14,16,18,21-22H,4-11H2.
What are the key properties of 2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone?
2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone has a molecular weight of 319.40 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 83977979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).