1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone

C26H33N3O4 — CID 58347663

IUPAC1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
SMILESO=C(Cc1cncc(O)c1)N1CCN(C(=O)c2cccc(OCCC3CCCCC3)c2)CC1
InChIInChI=1S/C26H33N3O4/c30-23-15-21(18-27-19-23)16-25(31)28-10-12-29(13-11-28)26(32)22-7-4-8-24(17-22)33-14-9-20-5-2-1-3-6-20/h4,7-8,15,17-20,30H,1-3,5-6,9-14,16H2
InChIKeyHHCZRRLYSWQUDV-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.66
Rot. Bonds7

About 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone

1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone (PubChem CID 58347663) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
PubChem CID58347663
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
SMILESO=C(Cc1cncc(O)c1)N1CCN(C(=O)c2cccc(OCCC3CCCCC3)c2)CC1
InChIInChI=1S/C26H33N3O4/c30-23-15-21(18-27-19-23)16-25(31)28-10-12-29(13-11-28)26(32)22-7-4-8-24(17-22)33-14-9-20-5-2-1-3-6-20/h4,7-8,15,17-20,30H,1-3,5-6,9-14,16H2
InChIKeyHHCZRRLYSWQUDV-UHFFFAOYSA-N
XLogP3.66
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone 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

3-[4-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]phenyl]propanoic acid
CID 58347545
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347743
1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347532
3-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]pyrazine-2-carboxylic acid
CID 58347948
oxalic acid;1-[4-[3-[2-(oxan-4-yl)ethoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 123342875
1-[4-[4-(2-cyclohexylethoxy)benzoyl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 58347929
3-[[3-[4-(2-pyridin-3-ylacetyl)piperazine-1-carbonyl]phenoxy]methyl]benzoic acid
CID 58347609
[4-(3-amino-1,2,4-triazole-4-carbonyl)piperazin-1-yl]-[3-(2-cyclohexylethoxy)phenyl]methanone
CID 24803138
1-[4-[5-(cyclohexylmethoxy)pyridine-3-carbonyl]piperazin-1-yl]-2-pyridin-3-ylethanone;oxalic acid
CID 123471923
[3-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]phenyl] acetate
CID 108533244
3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 55915816
4-[3-(2-cyclohexylethoxy)benzoyl]-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 67313518

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone?
The IUPAC name of 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone (CID 58347663) is 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone?
The canonical SMILES for 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone is O=C(Cc1cncc(O)c1)N1CCN(C(=O)c2cccc(OCCC3CCCCC3)c2)CC1.
What is the InChIKey of 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone?
The InChIKey is HHCZRRLYSWQUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c30-23-15-21(18-27-19-23)16-25(31)28-10-12-29(13-11-28)26(32)22-7-4-8-24(17-22)33-14-9-20-5-2-1-3-6-20/h4,7-8,15,17-20,30H,1-3,5-6,9-14,16H2.
What are the key properties of 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone?
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone has a molecular weight of 451.57 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone is sourced from PubChem (CID 58347663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).