1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone

C26H35N3O3 — CID 137349228

IUPAC1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
SMILESCCN1CCN(C2CCN(C(=O)COc3ccc(-c4ccc(OC)cc4)cc3)CC2)CC1
InChIInChI=1S/C26H35N3O3/c1-3-27-16-18-28(19-17-27)23-12-14-29(15-13-23)26(30)20-32-25-10-6-22(7-11-25)21-4-8-24(31-2)9-5-21/h4-11,23H,3,12-20H2,1-2H3
InChIKeyHQHBRBVCWLKIRI-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.37
Rot. Bonds7

About 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone

1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone (PubChem CID 137349228) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
PubChem CID137349228
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
SMILESCCN1CCN(C2CCN(C(=O)COc3ccc(-c4ccc(OC)cc4)cc3)CC2)CC1
InChIInChI=1S/C26H35N3O3/c1-3-27-16-18-28(19-17-27)23-12-14-29(15-13-23)26(30)20-32-25-10-6-22(7-11-25)21-4-8-24(31-2)9-5-21/h4-11,23H,3,12-20H2,1-2H3
InChIKeyHQHBRBVCWLKIRI-UHFFFAOYSA-N
XLogP3.37
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone with MolForge

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Related Compounds

Simetride
CID 71622
N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 710356
2-((trans-2-(4-(Benzyloxy)phenyl)cyclopropyl)amino)-1-(4-methylpiperazin-1-yl)ethanone
CID 45376076
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]ethanone
CID 60149007
1-[3-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949667
4-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine
CID 11977494
2-(Biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 2911244
1-Methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine
CID 56658588
4-Methyl-1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidine
CID 56668952
1-[3-[4-[4-(2-Piperidin-1-ylethoxy)phenyl]phenoxy]propyl]piperidine
CID 73346060
1-[3-[4-[4-(4-Piperidin-1-ylbutoxy)phenyl]phenoxy]propyl]piperidine
CID 73347592
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 798572

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone?
The IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone (CID 137349228) is 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone.
What is the SMILES notation for 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone?
The canonical SMILES for 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone is CCN1CCN(C2CCN(C(=O)COc3ccc(-c4ccc(OC)cc4)cc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone?
The InChIKey is HQHBRBVCWLKIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-3-27-16-18-28(19-17-27)23-12-14-29(15-13-23)26(30)20-32-25-10-6-22(7-11-25)21-4-8-24(31-2)9-5-21/h4-11,23H,3,12-20H2,1-2H3.
What are the key properties of 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone?
1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone has a molecular weight of 437.58 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone is sourced from PubChem (CID 137349228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).