[4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C20H23N3O3 — CID 78775412

IUPAC[4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCO/N=C/c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-25-19-9-7-18(8-10-19)22-11-13-23(14-12-22)20(24)17-5-3-16(4-6-17)15-21-26-2/h3-10,15H,11-14H2,1-2H3/b21-15+
InChIKeyNDQTTZZWULSYGW-RCCKNPSSSA-N
MW353.42 g/mol
LogP2.64
Rot. Bonds5

About [4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

[4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 78775412) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is [4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID78775412
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name[4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCO/N=C/c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-25-19-9-7-18(8-10-19)22-11-13-23(14-12-22)20(24)17-5-3-16(4-6-17)15-21-26-2/h3-10,15H,11-14H2,1-2H3/b21-15+
InChIKeyNDQTTZZWULSYGW-RCCKNPSSSA-N
XLogP2.64
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
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
[4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 806461
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 40696784
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
[4-[(E)-methoxyiminomethyl]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 78772206
(4-bromo-3,5-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55413833
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 78775412) is [4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is CO/N=C/c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of [4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is NDQTTZZWULSYGW-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-25-19-9-7-18(8-10-19)22-11-13-23(14-12-22)20(24)17-5-3-16(4-6-17)15-21-26-2/h3-10,15H,11-14H2,1-2H3/b21-15+.
What are the key properties of [4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 353.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78775412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).