(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide

C16H20N4O3 — CID 108850272

IUPAC(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide
SMILESCOc1ccc(OC)c(NC(=O)/C(C#N)=C\N2CCNCC2)c1
InChIInChI=1S/C16H20N4O3/c1-22-13-3-4-15(23-2)14(9-13)19-16(21)12(10-17)11-20-7-5-18-6-8-20/h3-4,9,11,18H,5-8H2,1-2H3,(H,19,21)/b12-11-
InChIKeyMHDOTYMZCDPCRY-QXMHVHEDSA-N
MW316.36 g/mol
LogP0.95
Rot. Bonds5

About (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide

(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide (PubChem CID 108850272) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide
PubChem CID108850272
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide
SMILESCOc1ccc(OC)c(NC(=O)/C(C#N)=C\N2CCNCC2)c1
InChIInChI=1S/C16H20N4O3/c1-22-13-3-4-15(23-2)14(9-13)19-16(21)12(10-17)11-20-7-5-18-6-8-20/h3-4,9,11,18H,5-8H2,1-2H3,(H,19,21)/b12-11-
InChIKeyMHDOTYMZCDPCRY-QXMHVHEDSA-N
XLogP0.95
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-morpholin-4-ylprop-2-enamide
CID 108850336
N-[(Z)-2-cyano-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108850543
(Z)-2-cyano-N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CID 108858374
(Z)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858189
(Z)-2-cyano-3-(2,5-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858177
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-piperazin-1-ylprop-2-enamide
CID 108825381
2-cyano-N-(2,5-dimethoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 4504662
1-[(Z)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108821177
(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide
CID 108842816
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-piperazin-1-ylprop-2-enamide
CID 108827245
(Z)-2-cyano-3-(2,6-dichloroanilino)-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 108850548
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 108827776

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide (CID 108850272) is (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide is COc1ccc(OC)c(NC(=O)/C(C#N)=C\N2CCNCC2)c1.
What is the InChIKey of (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide?
The InChIKey is MHDOTYMZCDPCRY-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-22-13-3-4-15(23-2)14(9-13)19-16(21)12(10-17)11-20-7-5-18-6-8-20/h3-4,9,11,18H,5-8H2,1-2H3,(H,19,21)/b12-11-.
What are the key properties of (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide?
(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide has a molecular weight of 316.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-piperazin-1-ylprop-2-enamide is sourced from PubChem (CID 108850272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).