(Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide

C21H21FN4O2 — CID 108821196

IUPAC(Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C(C#N)=C\N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H21FN4O2/c1-28-20-9-5-3-7-18(20)24-21(27)16(14-23)15-25-10-12-26(13-11-25)19-8-4-2-6-17(19)22/h2-9,15H,10-13H2,1H3,(H,24,27)/b16-15-
InChIKeyVZLNSQBWVMAVFL-NXVVXOECSA-N
MW380.42 g/mol
LogP3.00
Rot. Bonds5

About (Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide

(Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide (PubChem CID 108821196) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is (Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide
PubChem CID108821196
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name(Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C(C#N)=C\N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H21FN4O2/c1-28-20-9-5-3-7-18(20)24-21(27)16(14-23)15-25-10-12-26(13-11-25)19-8-4-2-6-17(19)22/h2-9,15H,10-13H2,1H3,(H,24,27)/b16-15-
InChIKeyVZLNSQBWVMAVFL-NXVVXOECSA-N
XLogP3.00
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Launch Full Analysis

Related Compounds

(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enamide
CID 108859803
1-[(Z)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108821177
(Z)-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858189
(Z)-N-(2-chloroethyl)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enamide
CID 108854654
(Z)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826365
(Z)-2-cyano-3-(2,6-difluoroanilino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108821058
(Z)-2-cyano-N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CID 108858374
3-[[(Z)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enoyl]amino]propanoic acid
CID 108817790
(Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide
CID 108831570
2-cyano-N-(2-methoxyphenyl)-3-(3-methyl-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 3895835
(Z)-N-(4-butylphenyl)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide
CID 108828230
(Z)-2-cyano-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855389

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide (CID 108821196) is (Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1NC(=O)/C(C#N)=C\N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is VZLNSQBWVMAVFL-NXVVXOECSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-28-20-9-5-3-7-18(20)24-21(27)16(14-23)15-25-10-12-26(13-11-25)19-8-4-2-6-17(19)22/h2-9,15H,10-13H2,1H3,(H,24,27)/b16-15-.
What are the key properties of (Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 380.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 108821196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).