[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone

C22H26N2O3 — CID 40696784

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
SMILESC=C(C)COc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-17(2)16-27-21-8-4-18(5-9-21)22(25)24-14-12-23(13-15-24)19-6-10-20(26-3)11-7-19/h4-11H,1,12-16H2,2-3H3
InChIKeyPHYBXLBCZLPXFH-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.61
Rot. Bonds6

About [4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone (PubChem CID 40696784) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
PubChem CID40696784
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
SMILESC=C(C)COc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-17(2)16-27-21-8-4-18(5-9-21)22(25)24-14-12-23(13-15-24)19-6-10-20(26-3)11-7-19/h4-11H,1,12-16H2,2-3H3
InChIKeyPHYBXLBCZLPXFH-UHFFFAOYSA-N
XLogP3.61
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 6472277
[4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 806461
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9159086
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
2-(3,4-dimethylphenoxy)-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 17335458
2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide
CID 27671794
(4-bromo-3,5-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55413833
[4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 78775412

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone (CID 40696784) is [4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone is C=C(C)COc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone?
The InChIKey is PHYBXLBCZLPXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17(2)16-27-21-8-4-18(5-9-21)22(25)24-14-12-23(13-15-24)19-6-10-20(26-3)11-7-19/h4-11H,1,12-16H2,2-3H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone has a molecular weight of 366.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone is sourced from PubChem (CID 40696784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).