(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

C18H26N4O2 — CID 108863411

IUPAC(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCC1(C)CC(N)CC(C)(C)N1/C=C(/C#N)C(=O)NCc1ccco1
InChIInChI=1S/C18H26N4O2/c1-17(2)8-14(20)9-18(3,4)22(17)12-13(10-19)16(23)21-11-15-6-5-7-24-15/h5-7,12,14H,8-9,11,20H2,1-4H3,(H,21,23)/b13-12-
InChIKeyXYHWTIKCLQGPKS-SEYXRHQNSA-N
MW330.43 g/mol
LogP2.28
Rot. Bonds4

About (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 108863411) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID108863411
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCC1(C)CC(N)CC(C)(C)N1/C=C(/C#N)C(=O)NCc1ccco1
InChIInChI=1S/C18H26N4O2/c1-17(2)8-14(20)9-18(3,4)22(17)12-13(10-19)16(23)21-11-15-6-5-7-24-15/h5-7,12,14H,8-9,11,20H2,1-4H3,(H,21,23)/b13-12-
InChIKeyXYHWTIKCLQGPKS-SEYXRHQNSA-N
XLogP2.28
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.28
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'}

Analyze (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide with MolForge

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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)-2-cyano-N-(furan-2-ylmethyl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enamide
CID 108863444
(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-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
CID 108863559
(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863327
(Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863428
(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 108843343
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide
CID 108863540
2-cyano-N-(furan-2-ylmethyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enamide
CID 3138086
(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108847442
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide (CID 108863411) is (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is CC1(C)CC(N)CC(C)(C)N1/C=C(/C#N)C(=O)NCc1ccco1.
What is the InChIKey of (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is XYHWTIKCLQGPKS-SEYXRHQNSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-17(2)8-14(20)9-18(3,4)22(17)12-13(10-19)16(23)21-11-15-6-5-7-24-15/h5-7,12,14H,8-9,11,20H2,1-4H3,(H,21,23)/b13-12-.
What are the key properties of (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
(Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 330.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 108863411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).