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

C16H21N3O2 — CID 108863394

IUPAC(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCC1CC(C)CN(/C=C(/C#N)C(=O)NCc2ccco2)C1
InChIInChI=1S/C16H21N3O2/c1-12-6-13(2)10-19(9-12)11-14(7-17)16(20)18-8-15-4-3-5-21-15/h3-5,11-13H,6,8-10H2,1-2H3,(H,18,20)/b14-11-
InChIKeyWSAIKEJBMCAWJZ-KAMYIIQDSA-N
MW287.36 g/mol
LogP2.28
Rot. Bonds4

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

(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 108863394) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID108863394
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCC1CC(C)CN(/C=C(/C#N)C(=O)NCc2ccco2)C1
InChIInChI=1S/C16H21N3O2/c1-12-6-13(2)10-19(9-12)11-14(7-17)16(20)18-8-15-4-3-5-21-15/h3-5,11-13H,6,8-10H2,1-2H3,(H,18,20)/b14-11-
InChIKeyWSAIKEJBMCAWJZ-KAMYIIQDSA-N
XLogP2.28
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide
CID 108842221
(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863411
(E)-2-cyano-N-(furan-2-ylmethyl)-3-[4-[(E)-2-phenylethenyl]piperazin-4-ium-1-yl]prop-2-enamide
CID 7693578
(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)prop-2-enamide
CID 108832952
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
CID 108863559
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide
CID 108863540
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide
CID 2688552
(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 8721805
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enamide
CID 108863444
(E)-3-(2H-chromen-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 6526280
(Z)-2-cyano-3-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 60528555
(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863327

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide (CID 108863394) is (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide is CC1CC(C)CN(/C=C(/C#N)C(=O)NCc2ccco2)C1.
What is the InChIKey of (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is WSAIKEJBMCAWJZ-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-6-13(2)10-19(9-12)11-14(7-17)16(20)18-8-15-4-3-5-21-15/h3-5,11-13H,6,8-10H2,1-2H3,(H,18,20)/b14-11-.
What are the key properties of (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide?
(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 287.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 108863394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).