(E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide

C16H23N3O — CID 9205820

IUPAC(E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C16H23N3O/c1-3-14-4-6-15(7-5-14)8-9-16(20)17-19-12-10-18(2)11-13-19/h4-9H,3,10-13H2,1-2H3,(H,17,20)/b9-8+
InChIKeyRRZSUVCRNITHRX-CMDGGOBGSA-N
MW273.38 g/mol
LogP1.54
Rot. Bonds4

About (E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide

(E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide (PubChem CID 9205820) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
PubChem CID9205820
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C16H23N3O/c1-3-14-4-6-15(7-5-14)8-9-16(20)17-19-12-10-18(2)11-13-19/h4-9H,3,10-13H2,1-2H3,(H,17,20)/b9-8+
InChIKeyRRZSUVCRNITHRX-CMDGGOBGSA-N
XLogP1.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 3403410
(E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 9204749
3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
(E)-3-(3-bromophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 9205098
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide
CID 77064988
(E)-N-(4-methylpiperazin-1-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9205614
(2S,3R)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 104964479
ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
CID 60817403
(E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide
CID 83021636
methyl (2R)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]propanoate
CID 113257899
(2S)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]butanedioic acid
CID 112733129

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide (CID 9205820) is (E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide is CCc1ccc(/C=C/C(=O)NN2CCN(C)CC2)cc1.
What is the InChIKey of (E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide?
The InChIKey is RRZSUVCRNITHRX-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-14-4-6-15(7-5-14)8-9-16(20)17-19-12-10-18(2)11-13-19/h4-9H,3,10-13H2,1-2H3,(H,17,20)/b9-8+.
What are the key properties of (E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide?
(E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide has a molecular weight of 273.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide is sourced from PubChem (CID 9205820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).