(Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide

C18H23N3O — CID 108842221

IUPAC(Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide
SMILESCC1CC(C)CN(/C=C(/C#N)C(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H23N3O/c1-14-8-15(2)12-21(11-14)13-17(9-19)18(22)20-10-16-6-4-3-5-7-16/h3-7,13-15H,8,10-12H2,1-2H3,(H,20,22)/b17-13-
InChIKeyWSNLNEUZAPORLZ-LGMDPLHJSA-N
MW297.40 g/mol
LogP2.69
Rot. Bonds4

About (Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide

(Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide (PubChem CID 108842221) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide
PubChem CID108842221
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide
SMILESCC1CC(C)CN(/C=C(/C#N)C(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H23N3O/c1-14-8-15(2)12-21(11-14)13-17(9-19)18(22)20-10-16-6-4-3-5-7-16/h3-7,13-15H,8,10-12H2,1-2H3,(H,20,22)/b17-13-
InChIKeyWSNLNEUZAPORLZ-LGMDPLHJSA-N
XLogP2.69
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863394
(Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide
CID 108842155
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide
CID 108832952
(Z)-2-cyano-3-(2,6-dimethylmorpholin-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837301
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)prop-2-enamide
CID 108840661
(Z)-N-benzyl-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-enamide
CID 98369519
(Z)-3-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108839559
(Z)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 47086152
(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(4-nitrophenyl)prop-2-enamide
CID 108853010
N-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyanoprop-2-enamide
CID 52501912
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide
CID 108828864

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide (CID 108842221) is (Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide is CC1CC(C)CN(/C=C(/C#N)C(=O)NCc2ccccc2)C1.
What is the InChIKey of (Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide?
The InChIKey is WSNLNEUZAPORLZ-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-8-15(2)12-21(11-14)13-17(9-19)18(22)20-10-16-6-4-3-5-7-16/h3-7,13-15H,8,10-12H2,1-2H3,(H,20,22)/b17-13-.
What are the key properties of (Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide?
(Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide has a molecular weight of 297.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 108842221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).