1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one

C15H22N2O3 — CID 174975795

IUPAC1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCNCC1.COc1ccc(OC)cc1
InChIInChI=1S/C8H10O2.C7H12N2O/c1-9-7-3-5-8(10-2)6-4-7;1-2-7(10)9-5-3-8-4-6-9/h3-6H,1-2H3;2,8H,1,3-6H2
InChIKeyHOSQHLVGRTZGAJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.31
Rot. Bonds3

About 1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one

1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one (PubChem CID 174975795) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one
PubChem CID174975795
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCNCC1.COc1ccc(OC)cc1
InChIInChI=1S/C8H10O2.C7H12N2O/c1-9-7-3-5-8(10-2)6-4-7;1-2-7(10)9-5-3-8-4-6-9/h3-6H,1-2H3;2,8H,1,3-6H2
InChIKeyHOSQHLVGRTZGAJ-UHFFFAOYSA-N
XLogP1.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;(E)-1-(4-methoxyphenyl)-4-piperazin-1-ylbut-2-ene-1,4-dione
CID 177039562
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CID 160562022
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402873
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
N-[2-(4-methoxyphenyl)-2-piperazin-1-ylethenyl]acetamide
CID 3774416
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 164754110
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427
S-[(4-methoxyphenyl)methyl] piperazine-1-carbothioate;hydrochloride
CID 87713842
1-(1,4-diazepan-1-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 94699665

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one?
The IUPAC name of 1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one (CID 174975795) is 1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one.
What is the SMILES notation for 1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one?
The canonical SMILES for 1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one is C=CC(=O)N1CCNCC1.COc1ccc(OC)cc1.
What is the InChIKey of 1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one?
The InChIKey is HOSQHLVGRTZGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C7H12N2O/c1-9-7-3-5-8(10-2)6-4-7;1-2-7(10)9-5-3-8-4-6-9/h3-6H,1-2H3;2,8H,1,3-6H2.
What are the key properties of 1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one?
1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one is sourced from PubChem (CID 174975795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).