[4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone

C26H34N2O5 — CID 166245509

IUPAC[4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone
SMILESCOCCOc1ccccc1N1CCN(C(=O)C2(OCc3ccccc3)CCOCC2)CC1
InChIInChI=1S/C26H34N2O5/c1-30-19-20-32-24-10-6-5-9-23(24)27-13-15-28(16-14-27)25(29)26(11-17-31-18-12-26)33-21-22-7-3-2-4-8-22/h2-10H,11-21H2,1H3
InChIKeyGODYAYGAZZWTNH-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.13
Rot. Bonds9

About [4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone

[4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone (PubChem CID 166245509) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is [4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone
PubChem CID166245509
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC Name[4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone
SMILESCOCCOc1ccccc1N1CCN(C(=O)C2(OCc3ccccc3)CCOCC2)CC1
InChIInChI=1S/C26H34N2O5/c1-30-19-20-32-24-10-6-5-9-23(24)27-13-15-28(16-14-27)25(29)26(11-17-31-18-12-26)33-21-22-7-3-2-4-8-22/h2-10H,11-21H2,1H3
InChIKeyGODYAYGAZZWTNH-UHFFFAOYSA-N
XLogP3.13
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine
CID 167513814
(1-aminocyclopropyl)-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]methanone;trihydrochloride
CID 119903273
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119826585
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970253
1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone
CID 39891735
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710
3-[2-(4-benzoylpiperazin-1-yl)phenoxy]propanoic acid
CID 22399381
N,N-bis(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108528608
4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 24825192

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone?
The IUPAC name of [4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone (CID 166245509) is [4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone.
What is the SMILES notation for [4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone?
The canonical SMILES for [4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone is COCCOc1ccccc1N1CCN(C(=O)C2(OCc3ccccc3)CCOCC2)CC1.
What is the InChIKey of [4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone?
The InChIKey is GODYAYGAZZWTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5/c1-30-19-20-32-24-10-6-5-9-23(24)27-13-15-28(16-14-27)25(29)26(11-17-31-18-12-26)33-21-22-7-3-2-4-8-22/h2-10H,11-21H2,1H3.
What are the key properties of [4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone?
[4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone has a molecular weight of 454.57 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methoxyethoxy)phenyl]piperazin-1-yl]-(4-phenylmethoxyoxan-4-yl)methanone is sourced from PubChem (CID 166245509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).