(E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide

C25H30N2O3 — CID 155274922

IUPAC(E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(N3CCCCC3)cc2)cc1)NOC1CCCCO1
InChIInChI=1S/C25H30N2O3/c28-24(26-30-25-6-2-5-19-29-25)16-9-20-7-10-21(11-8-20)22-12-14-23(15-13-22)27-17-3-1-4-18-27/h7-16,25H,1-6,17-19H2,(H,26,28)/b16-9+
InChIKeyGYFFPDGIQAIYPQ-CXUHLZMHSA-N
MW406.53 g/mol
LogP4.93
Rot. Bonds6

About (E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide

(E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide (PubChem CID 155274922) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is (E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide
PubChem CID155274922
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name(E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(N3CCCCC3)cc2)cc1)NOC1CCCCO1
InChIInChI=1S/C25H30N2O3/c28-24(26-30-25-6-2-5-19-29-25)16-9-20-7-10-21(11-8-20)22-12-14-23(15-13-22)27-17-3-1-4-18-27/h7-16,25H,1-6,17-19H2,(H,26,28)/b16-9+
InChIKeyGYFFPDGIQAIYPQ-CXUHLZMHSA-N
XLogP4.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide 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

(E)-N-(oxan-2-yloxy)-3-[4-[(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)methyl]phenyl]prop-2-enamide
CID 58740708
(E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide
CID 170189433
(E)-3-[4-[(E)-3-[4-(chloromethyl)phenyl]-3-oxoprop-1-enyl]phenyl]-N-(oxan-2-yloxy)prop-2-enamide
CID 86641368
(E)-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-1-(oxan-2-yloxy)but-3-en-2-one
CID 157327873
5-[(E)-3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]thiophene-2-carboxylic acid
CID 42626198
5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]thiophene-2-carboxylic acid
CID 74828602
(E)-3-[4-[2-amino-2-[(E)-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]iminoethyl]phenyl]-N-(oxan-2-yloxy)prop-2-enamide
CID 142922696
(E)-3-[4-[[2-(4-cyclopentylphenyl)ethylamino]methyl]phenyl]-N-(oxan-2-yloxy)prop-2-enamide
CID 176902731
3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-azetidine]-6-yl)-N-(oxan-2-yloxy)prop-2-enamide
CID 123145545
(E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-azetidine]-6-yl)-N-(oxan-2-yloxy)prop-2-enamide
CID 86671987
(E)-3-[4-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]phenyl]-N-(oxan-2-yloxy)prop-2-enamide
CID 58740802
[5-[(E)-3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 175182544

Frequently Asked Questions

What is the IUPAC name of (E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide (CID 155274922) is (E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(-c2ccc(N3CCCCC3)cc2)cc1)NOC1CCCCO1.
What is the InChIKey of (E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide?
The InChIKey is GYFFPDGIQAIYPQ-CXUHLZMHSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-24(26-30-25-6-2-5-19-29-25)16-9-20-7-10-21(11-8-20)22-12-14-23(15-13-22)27-17-3-1-4-18-27/h7-16,25H,1-6,17-19H2,(H,26,28)/b16-9+.
What are the key properties of (E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide?
(E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide has a molecular weight of 406.53 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(oxan-2-yloxy)-3-[4-(4-piperidin-1-ylphenyl)phenyl]prop-2-enamide is sourced from PubChem (CID 155274922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).