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

C21H28N4O2 — CID 108831570

IUPAC(Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide
SMILESCOc1ccccc1N1CCN(/C=C(/C#N)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H28N4O2/c1-27-20-10-6-5-9-19(20)25-13-11-24(12-14-25)16-17(15-22)21(26)23-18-7-3-2-4-8-18/h5-6,9-10,16,18H,2-4,7-8,11-14H2,1H3,(H,23,26)/b17-16-
InChIKeyHPHXDLJJPHRZCZ-MSUUIHNZSA-N
MW368.48 g/mol
LogP2.67
Rot. Bonds5

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

(Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide (PubChem CID 108831570) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide
PubChem CID108831570
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide
SMILESCOc1ccccc1N1CCN(/C=C(/C#N)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H28N4O2/c1-27-20-10-6-5-9-19(20)25-13-11-24(12-14-25)16-17(15-22)21(26)23-18-7-3-2-4-8-18/h5-6,9-10,16,18H,2-4,7-8,11-14H2,1H3,(H,23,26)/b17-16-
InChIKeyHPHXDLJJPHRZCZ-MSUUIHNZSA-N
XLogP2.67
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.67
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'}

Analyze (Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide with MolForge

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Related Compounds

3-[[(Z)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enoyl]amino]propanoic acid
CID 108817790
(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
CID 19175296
(Z)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide
CID 108836765
(Z)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyano-N-cyclododecylprop-2-enamide
CID 108862783
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
(Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide
CID 108821196
(Z)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826365
(Z)-N-(4-butylphenyl)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide
CID 108828230
(Z)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815566
(Z)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-nitrophenyl)prop-2-enamide
CID 108853485
(Z)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861269

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide (CID 108831570) is (Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide is COc1ccccc1N1CCN(/C=C(/C#N)C(=O)NC2CCCCC2)CC1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide?
The InChIKey is HPHXDLJJPHRZCZ-MSUUIHNZSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-20-10-6-5-9-19(20)25-13-11-24(12-14-25)16-17(15-22)21(26)23-18-7-3-2-4-8-18/h5-6,9-10,16,18H,2-4,7-8,11-14H2,1H3,(H,23,26)/b17-16-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide has a molecular weight of 368.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide is sourced from PubChem (CID 108831570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).