(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone

C15H21IN2O — CID 64978233

IUPAC(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(I)cc2)C(CC)CN1
InChIInChI=1S/C15H21IN2O/c1-3-13-10-18(14(4-2)9-17-13)15(19)11-5-7-12(16)8-6-11/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyISUNIRQGHMDAEK-UHFFFAOYSA-N
MW372.25 g/mol
LogP2.89
Rot. Bonds3

About (2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone

(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone (PubChem CID 64978233) has the molecular formula C15H21IN2O and a molecular weight of 372.25 g/mol. Its IUPAC name is (2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone
PubChem CID64978233
Molecular FormulaC15H21IN2O
Molecular Weight372.25 g/mol
Exact Mass372.07
IUPAC Name(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(I)cc2)C(CC)CN1
InChIInChI=1S/C15H21IN2O/c1-3-13-10-18(14(4-2)9-17-13)15(19)11-5-7-12(16)8-6-11/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyISUNIRQGHMDAEK-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone
CID 64978469
(2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 64978507
(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107973323
(2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 64977785
(2,5-diethylpiperazin-1-yl)-(1H-indol-6-yl)methanone
CID 64978198
(3-bromo-4-chlorophenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107990467
(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 64978518
(2,5-diethylpiperazin-1-yl)-(5-nitrothiophen-3-yl)methanone
CID 64978377
(2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 64978414
(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 64978281
(2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 64978517
(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107729955

Frequently Asked Questions

What is the IUPAC name of (2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone?
The IUPAC name of (2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone (CID 64978233) is (2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone.
What is the SMILES notation for (2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone?
The canonical SMILES for (2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone is CCC1CN(C(=O)c2ccc(I)cc2)C(CC)CN1.
What is the InChIKey of (2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone?
The InChIKey is ISUNIRQGHMDAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O/c1-3-13-10-18(14(4-2)9-17-13)15(19)11-5-7-12(16)8-6-11/h5-8,13-14,17H,3-4,9-10H2,1-2H3.
What are the key properties of (2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone?
(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone has a molecular weight of 372.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone is sourced from PubChem (CID 64978233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).