1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone

C26H33N3O3 — CID 58347743

IUPAC1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(C(=O)c2cccc(OCCC3CCCCC3)c2)CC1
InChIInChI=1S/C26H33N3O3/c30-25(20-23-10-4-5-13-27-23)28-14-16-29(17-15-28)26(31)22-9-6-11-24(19-22)32-18-12-21-7-2-1-3-8-21/h4-6,9-11,13,19,21H,1-3,7-8,12,14-18,20H2
InChIKeyUNJBJGCFDTUPIB-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.96
Rot. Bonds7

About 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone

1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 58347743) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID58347743
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(C(=O)c2cccc(OCCC3CCCCC3)c2)CC1
InChIInChI=1S/C26H33N3O3/c30-25(20-23-10-4-5-13-27-23)28-14-16-29(17-15-28)26(31)22-9-6-11-24(19-22)32-18-12-21-7-2-1-3-8-21/h4-6,9-11,13,19,21H,1-3,7-8,12,14-18,20H2
InChIKeyUNJBJGCFDTUPIB-UHFFFAOYSA-N
XLogP3.96
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347996
3-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]pyrazine-2-carboxylic acid
CID 58347948
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
CID 58347663
3-[4-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]phenyl]propanoic acid
CID 58347545
1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone
CID 58347728
3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 55915816
1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347532
[4-(3-amino-1,2,4-triazole-4-carbonyl)piperazin-1-yl]-[3-(2-cyclohexylethoxy)phenyl]methanone
CID 24803138
oxalic acid;1-[4-[3-[2-(oxan-4-yl)ethoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 123342875
1-[4-[3-(3-phenylpropoxy)benzoyl]piperazin-1-yl]-2-pyrazin-2-ylethanone
CID 58347483
[3-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]phenyl] acetate
CID 108533244
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-pyridin-2-ylethanone?
The IUPAC name of 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone (CID 58347743) is 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCN(C(=O)c2cccc(OCCC3CCCCC3)c2)CC1.
What is the InChIKey of 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is UNJBJGCFDTUPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c30-25(20-23-10-4-5-13-27-23)28-14-16-29(17-15-28)26(31)22-9-6-11-24(19-22)32-18-12-21-7-2-1-3-8-21/h4-6,9-11,13,19,21H,1-3,7-8,12,14-18,20H2.
What are the key properties of 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 435.57 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 58347743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).