4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid

C18H22N2O5 — CID 129009152

IUPAC4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1
InChIInChI=1S/C18H22N2O5/c21-17(20-9-12-25-16(13-20)18(22)23)6-3-14-1-4-15(5-2-14)19-7-10-24-11-8-19/h1-6,16H,7-13H2,(H,22,23)/b6-3+
InChIKeyUKMOBSGMPYSKFC-ZZXKWVIFSA-N
MW346.38 g/mol
LogP0.85
Rot. Bonds4

About 4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid

4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid (PubChem CID 129009152) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid
PubChem CID129009152
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1
InChIInChI=1S/C18H22N2O5/c21-17(20-9-12-25-16(13-20)18(22)23)6-3-14-1-4-15(5-2-14)19-7-10-24-11-8-19/h1-6,16H,7-13H2,(H,22,23)/b6-3+
InChIKeyUKMOBSGMPYSKFC-ZZXKWVIFSA-N
XLogP0.85
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]morpholine-2-carboxylic acid
CID 126796027
(E)-1-(3-methylpiperazin-1-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 122147835
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
4-[3-(5-bromothiophen-3-yl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 126796045
(E)-1-[(3S,4S)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 166255509
(E)-3-(4-morpholin-4-ylphenyl)-1-[3-(phenoxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 86971115
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 111434188
4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 76918600
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
(E)-3-(4-hydroxyphenyl)-1-(2-sulfanylmorpholin-4-yl)prop-2-en-1-one
CID 142549307
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid (CID 129009152) is 4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1.
What is the InChIKey of 4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid?
The InChIKey is UKMOBSGMPYSKFC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C18H22N2O5/c21-17(20-9-12-25-16(13-20)18(22)23)6-3-14-1-4-15(5-2-14)19-7-10-24-11-8-19/h1-6,16H,7-13H2,(H,22,23)/b6-3+.
What are the key properties of 4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid?
4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid has a molecular weight of 346.38 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129009152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).