1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone

C25H32N4O3 — CID 58347996

IUPAC1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(C(=O)c2ccnc(OCCC3CCCCC3)c2)CC1
InChIInChI=1S/C25H32N4O3/c30-24(19-22-8-4-5-11-26-22)28-13-15-29(16-14-28)25(31)21-9-12-27-23(18-21)32-17-10-20-6-2-1-3-7-20/h4-5,8-9,11-12,18,20H,1-3,6-7,10,13-17,19H2
InChIKeyZVSGEFZNQMMIID-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.35
Rot. Bonds7

About 1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone

1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 58347996) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID58347996
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(C(=O)c2ccnc(OCCC3CCCCC3)c2)CC1
InChIInChI=1S/C25H32N4O3/c30-24(19-22-8-4-5-11-26-22)28-13-15-29(16-14-28)25(31)21-9-12-27-23(18-21)32-17-10-20-6-2-1-3-7-20/h4-5,8-9,11-12,18,20H,1-3,6-7,10,13-17,19H2
InChIKeyZVSGEFZNQMMIID-UHFFFAOYSA-N
XLogP3.35
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone with MolForge

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Related Compounds

1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347743
2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 58347770
3-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]pyrazine-2-carboxylic acid
CID 58347948
2-pyridin-2-yl-1-[4-[4-(2,2,2-trifluoroethoxy)benzoyl]piperazin-1-yl]ethanone
CID 56521147
1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone
CID 58347728
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
CID 58347663
1-[4-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521404
3-[4-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]phenyl]propanoic acid
CID 58347545
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
2-(2-cyclobutylethoxy)pyridine-4-carbothioamide
CID 106201698
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 55915816

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone (CID 58347996) is 1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCN(C(=O)c2ccnc(OCCC3CCCCC3)c2)CC1.
What is the InChIKey of 1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is ZVSGEFZNQMMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c30-24(19-22-8-4-5-11-26-22)28-13-15-29(16-14-28)25(31)21-9-12-27-23(18-21)32-17-10-20-6-2-1-3-7-20/h4-5,8-9,11-12,18,20H,1-3,6-7,10,13-17,19H2.
What are the key properties of 1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 436.56 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 58347996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).