(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide

C16H21N3O3 — CID 108863559

IUPAC(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
SMILESN#C/C(=C/N1CCCCC1CCO)C(=O)NCc1ccco1
InChIInChI=1S/C16H21N3O3/c17-10-13(16(21)18-11-15-5-3-9-22-15)12-19-7-2-1-4-14(19)6-8-20/h3,5,9,12,14,20H,1-2,4,6-8,11H2,(H,18,21)/b13-12-
InChIKeySGMYRNXSKJBQLG-SEYXRHQNSA-N
MW303.36 g/mol
LogP1.54
Rot. Bonds6

About (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide

(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide (PubChem CID 108863559) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
PubChem CID108863559
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
SMILESN#C/C(=C/N1CCCCC1CCO)C(=O)NCc1ccco1
InChIInChI=1S/C16H21N3O3/c17-10-13(16(21)18-11-15-5-3-9-22-15)12-19-7-2-1-4-14(19)6-8-20/h3,5,9,12,14,20H,1-2,4,6-8,11H2,(H,18,21)/b13-12-
InChIKeySGMYRNXSKJBQLG-SEYXRHQNSA-N
XLogP1.54
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
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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Related Compounds

(Z)-N-(2-chloroethyl)-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
CID 108854672
3-[[(Z)-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enoyl]amino]propanoic acid
CID 108817858
(Z)-N-benzhydryl-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
CID 108840563
(Z)-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824942
(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863394
(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863327
(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863411
(Z)-2-cyano-3-(2-ethylpiperidin-1-yl)-N-(2-phenylethyl)prop-2-enamide
CID 108835203
(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-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide
CID 108863540
N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 95268952
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108863256

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide (CID 108863559) is (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide is N#C/C(=C/N1CCCCC1CCO)C(=O)NCc1ccco1.
What is the InChIKey of (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide?
The InChIKey is SGMYRNXSKJBQLG-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-10-13(16(21)18-11-15-5-3-9-22-15)12-19-7-2-1-4-14(19)6-8-20/h3,5,9,12,14,20H,1-2,4,6-8,11H2,(H,18,21)/b13-12-.
What are the key properties of (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide?
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide has a molecular weight of 303.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide is sourced from PubChem (CID 108863559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).