[4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate

C31H36N2O3 — CID 155816458

IUPAC[4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(/C(=C(\C)c2ccccc2)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C31H36N2O3/c1-3-32-31(34)36-29-18-14-27(15-19-29)30(24(2)25-10-6-4-7-11-25)26-12-16-28(17-13-26)35-23-22-33-20-8-5-9-21-33/h4,6-7,10-19H,3,5,8-9,20-23H2,1-2H3,(H,32,34)/b30-24+
InChIKeyDGTFBJPZVUBHGW-BGABXYSRSA-N
MW484.64 g/mol
LogP6.64
Rot. Bonds9

About [4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate

[4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate (PubChem CID 155816458) has the molecular formula C31H36N2O3 and a molecular weight of 484.64 g/mol. Its IUPAC name is [4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate
PubChem CID155816458
Molecular FormulaC31H36N2O3
Molecular Weight484.64 g/mol
Exact Mass484.27
IUPAC Name[4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(/C(=C(\C)c2ccccc2)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C31H36N2O3/c1-3-32-31(34)36-29-18-14-27(15-19-29)30(24(2)25-10-6-4-7-11-25)26-12-16-28(17-13-26)35-23-22-33-20-8-5-9-21-33/h4,6-7,10-19H,3,5,8-9,20-23H2,1-2H3,(H,32,34)/b30-24+
InChIKeyDGTFBJPZVUBHGW-BGABXYSRSA-N
XLogP6.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate 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

1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155806165
1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155812406
1-[3-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]propyl]pyrrolidine
CID 144608980
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol
CID 171935752
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
CID 71038694
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
3-[1,1-bis[4-[2-(azepan-1-yl)ethoxy]phenyl]but-1-en-2-yl]benzoic acid
CID 132566962
1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
CID 70142376
ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
1-[2-[3-[2-ethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]ethyl]pyrrolidine
CID 132508115
1-[4-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]butyl]piperidine
CID 21469785

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate?
The IUPAC name of [4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate (CID 155816458) is [4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate.
What is the SMILES notation for [4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate?
The canonical SMILES for [4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate is CCNC(=O)Oc1ccc(/C(=C(\C)c2ccccc2)c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of [4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate?
The InChIKey is DGTFBJPZVUBHGW-BGABXYSRSA-N. The full InChI is InChI=1S/C31H36N2O3/c1-3-32-31(34)36-29-18-14-27(15-19-29)30(24(2)25-10-6-4-7-11-25)26-12-16-28(17-13-26)35-23-22-33-20-8-5-9-21-33/h4,6-7,10-19H,3,5,8-9,20-23H2,1-2H3,(H,32,34)/b30-24+.
What are the key properties of [4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate?
[4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate has a molecular weight of 484.64 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate is sourced from PubChem (CID 155816458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).