(2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone

C16H24N2O3 — CID 64977938

IUPAC(2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCCC1CN(C(=O)c2cccc(OC)c2O)C(CC)CN1
InChIInChI=1S/C16H24N2O3/c1-4-11-10-18(12(5-2)9-17-11)16(20)13-7-6-8-14(21-3)15(13)19/h6-8,11-12,17,19H,4-5,9-10H2,1-3H3
InChIKeyQXHSZNOKVKKVBZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.00
Rot. Bonds4

About (2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone

(2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone (PubChem CID 64977938) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
PubChem CID64977938
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCCC1CN(C(=O)c2cccc(OC)c2O)C(CC)CN1
InChIInChI=1S/C16H24N2O3/c1-4-11-10-18(12(5-2)9-17-11)16(20)13-7-6-8-14(21-3)15(13)19/h6-8,11-12,17,19H,4-5,9-10H2,1-3H3
InChIKeyQXHSZNOKVKKVBZ-UHFFFAOYSA-N
XLogP2.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone
CID 64978238
(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107729955
(2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107963586
(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 64978233
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-hydroxy-3-methoxyphenyl)methanone
CID 66210628
(2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone
CID 64978469
1-(2-hydroxy-3-methoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432919
[2-(aminomethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63754345
(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107973323
[2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63395526
(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 64978281
4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 24695969

Frequently Asked Questions

What is the IUPAC name of (2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of (2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone (CID 64977938) is (2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for (2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for (2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone is CCC1CN(C(=O)c2cccc(OC)c2O)C(CC)CN1.
What is the InChIKey of (2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is QXHSZNOKVKKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-11-10-18(12(5-2)9-17-11)16(20)13-7-6-8-14(21-3)15(13)19/h6-8,11-12,17,19H,4-5,9-10H2,1-3H3.
What are the key properties of (2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
(2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 292.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 64977938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).