(E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one

C23H27NO2 — CID 10641542

IUPAC(E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one
SMILESC/C(=C\C(=O)N1CCCCC1)c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C23H27NO2/c1-18(17-23(25)24-15-7-4-8-16-24)20-11-13-22(14-12-20)26-19(2)21-9-5-3-6-10-21/h3,5-6,9-14,17,19H,4,7-8,15-16H2,1-2H3/b18-17+
InChIKeyDLQHPQMFSBHZOA-ISLYRVAYSA-N
MW349.47 g/mol
LogP5.24
Rot. Bonds5

About (E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one

(E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one (PubChem CID 10641542) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is (E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one
PubChem CID10641542
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name(E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one
SMILESC/C(=C\C(=O)N1CCCCC1)c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C23H27NO2/c1-18(17-23(25)24-15-7-4-8-16-24)20-11-13-22(14-12-20)26-19(2)21-9-5-3-6-10-21/h3,5-6,9-14,17,19H,4,7-8,15-16H2,1-2H3/b18-17+
InChIKeyDLQHPQMFSBHZOA-ISLYRVAYSA-N
XLogP5.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one 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

UK 78282
CID 656768
A-63162
CID 121876
1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392392
N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
CID 101683175
N-(4-benzyloxybenzyl)acetohydroxamic acid
CID 129265
3-[1'-{4'-(Benzyloxy)-phenyl}]-quinuclidine-2-ene
CID 23653492
N,N-dimethyl-3-phenoxy-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 16747689
N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-(p-tolyloxy)propan-1-amine
CID 24947378
3-(4-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947379
3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947570
3-(4-(1-isopropylpiperidin-4-yloxy)phenyl)-N,N-dimethyl-3-phenoxypropan-1-amine
CID 24948317
N,N-dimethyl-3-phenyl-3-(4-(3-(piperidin-1-yl)propoxy)phenoxy)propan-1-amine
CID 24948507

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one?
The IUPAC name of (E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one (CID 10641542) is (E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one?
The canonical SMILES for (E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one is C/C(=C\C(=O)N1CCCCC1)c1ccc(OC(C)c2ccccc2)cc1.
What is the InChIKey of (E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one?
The InChIKey is DLQHPQMFSBHZOA-ISLYRVAYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-18(17-23(25)24-15-7-4-8-16-24)20-11-13-22(14-12-20)26-19(2)21-9-5-3-6-10-21/h3,5-6,9-14,17,19H,4,7-8,15-16H2,1-2H3/b18-17+.
What are the key properties of (E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one?
(E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one has a molecular weight of 349.47 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one is sourced from PubChem (CID 10641542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).