(E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide

C19H26N2O3 — CID 18161234

IUPAC(E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C19H26N2O3/c1-14-5-4-12-21(13-14)19(23)15(2)20-18(22)11-8-16-6-9-17(24-3)10-7-16/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,20,22)/b11-8+
InChIKeyFKUMIRSLSARRBQ-DHZHZOJOSA-N
MW330.43 g/mol
LogP2.47
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide (PubChem CID 18161234) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
PubChem CID18161234
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C19H26N2O3/c1-14-5-4-12-21(13-14)19(23)15(2)20-18(22)11-8-16-6-9-17(24-3)10-7-16/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,20,22)/b11-8+
InChIKeyFKUMIRSLSARRBQ-DHZHZOJOSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.47
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

(E)-3-(4-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18160171
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 898049
(E)-N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 51337925
(E)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51166216
1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55954329
1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951132
(E)-N-[(2S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 55943474
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide
CID 75125584
3-(4-methoxyphenyl)-N-[1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]prop-2-enamide
CID 55477911
1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809815
(E)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]prop-2-enamide
CID 30665525
(E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51161508

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide (CID 18161234) is (E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide is COc1ccc(/C=C/C(=O)NC(C)C(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide?
The InChIKey is FKUMIRSLSARRBQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-5-4-12-21(13-14)19(23)15(2)20-18(22)11-8-16-6-9-17(24-3)10-7-16/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,20,22)/b11-8+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide has a molecular weight of 330.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide is sourced from PubChem (CID 18161234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).