(E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide

C23H27N3O3 — CID 51161508

IUPAC(E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
SMILESCOc1cccc(N2CCN(C(=O)C(C)NC(=O)/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-18(24-22(27)12-11-19-7-4-3-5-8-19)23(28)26-15-13-25(14-16-26)20-9-6-10-21(17-20)29-2/h3-12,17-18H,13-16H2,1-2H3,(H,24,27)/b12-11+
InChIKeyNZISDMARLSDGPL-VAWYXSNFSA-N
MW393.49 g/mol
LogP2.56
Rot. Bonds6

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

(E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide (PubChem CID 51161508) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
PubChem CID51161508
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
SMILESCOc1cccc(N2CCN(C(=O)C(C)NC(=O)/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-18(24-22(27)12-11-19-7-4-3-5-8-19)23(28)26-15-13-25(14-16-26)20-9-6-10-21(17-20)29-2/h3-12,17-18H,13-16H2,1-2H3,(H,24,27)/b12-11+
InChIKeyNZISDMARLSDGPL-VAWYXSNFSA-N
XLogP2.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51166216
(Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide
CID 97435389
(E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide
CID 9269227
(E)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 9371769
(E)-3-(4-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18160171
(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 9041528
methyl 4-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzoate
CID 78501609
N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 42904601
N-[(2S)-3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide
CID 6724445
(E)-N-[1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 75478030
(E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18161234
N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 38574785

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide (CID 51161508) is (E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide is COc1cccc(N2CCN(C(=O)C(C)NC(=O)/C=C/c3ccccc3)CC2)c1.
What is the InChIKey of (E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide?
The InChIKey is NZISDMARLSDGPL-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-18(24-22(27)12-11-19-7-4-3-5-8-19)23(28)26-15-13-25(14-16-26)20-9-6-10-21(17-20)29-2/h3-12,17-18H,13-16H2,1-2H3,(H,24,27)/b12-11+.
What are the key properties of (E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide?
(E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide has a molecular weight of 393.49 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 51161508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).