(Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide

C20H25N3O2 — CID 94662482

IUPAC(Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide
SMILESCc1ccc(/C=C\C(=O)Nc2cccc(CN3CCN(C)CC3)c2)o1
InChIInChI=1S/C20H25N3O2/c1-16-6-7-19(25-16)8-9-20(24)21-18-5-3-4-17(14-18)15-23-12-10-22(2)11-13-23/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/b9-8-
InChIKeyPZDAEXYDMUDBDC-HJWRWDBZSA-N
MW339.44 g/mol
LogP2.99
Rot. Bonds5

About (Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide

(Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide (PubChem CID 94662482) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide
PubChem CID94662482
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide
SMILESCc1ccc(/C=C\C(=O)Nc2cccc(CN3CCN(C)CC3)c2)o1
InChIInChI=1S/C20H25N3O2/c1-16-6-7-19(25-16)8-9-20(24)21-18-5-3-4-17(14-18)15-23-12-10-22(2)11-13-23/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/b9-8-
InChIKeyPZDAEXYDMUDBDC-HJWRWDBZSA-N
XLogP2.99
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide with MolForge

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Related Compounds

3-(5-bromothiophen-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide
CID 76869924
(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78783838
(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 24632271
(Z)-3-(furan-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 97456575
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 2665588
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]octanamide
CID 60580118
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334787
(E)-3-(5-methylfuran-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 26592569
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902624
2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate
CID 76870592
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide (CID 94662482) is (Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide is Cc1ccc(/C=C\C(=O)Nc2cccc(CN3CCN(C)CC3)c2)o1.
What is the InChIKey of (Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide?
The InChIKey is PZDAEXYDMUDBDC-HJWRWDBZSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-6-7-19(25-16)8-9-20(24)21-18-5-3-4-17(14-18)15-23-12-10-22(2)11-13-23/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/b9-8-.
What are the key properties of (Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide?
(Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide has a molecular weight of 339.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-methylfuran-2-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 94662482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).