(Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid

C15H18N2O4 — CID 46784567

IUPAC(Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
SMILESCOc1ccccc1N1CCN(C(=O)/C=C\C(=O)O)CC1
InChIInChI=1S/C15H18N2O4/c1-21-13-5-3-2-4-12(13)16-8-10-17(11-9-16)14(18)6-7-15(19)20/h2-7H,8-11H2,1H3,(H,19,20)/b7-6-
InChIKeyBFSJODXTNHRZLI-SREVYHEPSA-N
MW290.32 g/mol
LogP0.98
Rot. Bonds4

About (Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid

(Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid (PubChem CID 46784567) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
PubChem CID46784567
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
SMILESCOc1ccccc1N1CCN(C(=O)/C=C\C(=O)O)CC1
InChIInChI=1S/C15H18N2O4/c1-21-13-5-3-2-4-12(13)16-8-10-17(11-9-16)14(18)6-7-15(19)20/h2-7H,8-11H2,1H3,(H,19,20)/b7-6-
InChIKeyBFSJODXTNHRZLI-SREVYHEPSA-N
XLogP0.98
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.98
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

(E)-4-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 82533862
(E)-3-(2-aminophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 129451635
3-(4-tert-butylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 3260557
(E)-3-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 2597877
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
azane;(E)-4-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-oxobut-2-enoic acid
CID 173292352
(E)-3-(3-chloro-4-methylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9335253
(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 46559839
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889437
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 8713173
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid (CID 46784567) is (Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid is COc1ccccc1N1CCN(C(=O)/C=C\C(=O)O)CC1.
What is the InChIKey of (Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
The InChIKey is BFSJODXTNHRZLI-SREVYHEPSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-13-5-3-2-4-12(13)16-8-10-17(11-9-16)14(18)6-7-15(19)20/h2-7H,8-11H2,1H3,(H,19,20)/b7-6-.
What are the key properties of (Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
(Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid is sourced from PubChem (CID 46784567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).