(E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide

C27H33N3O2 — CID 44533875

IUPAC(E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1O)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C27H33N3O2/c31-26-11-5-2-8-22(26)12-13-27(32)28-16-6-1-7-17-30-18-14-21(15-19-30)24-20-29-25-10-4-3-9-23(24)25/h2-5,8-13,20-21,29,31H,1,6-7,14-19H2,(H,28,32)/b13-12+
InChIKeyBEFZUDZVXGRKIE-OUKQBFOZSA-N
MW431.58 g/mol
LogP5.05
Rot. Bonds9

About (E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide

(E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide (PubChem CID 44533875) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is (E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide
PubChem CID44533875
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name(E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1O)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C27H33N3O2/c31-26-11-5-2-8-22(26)12-13-27(32)28-16-6-1-7-17-30-18-14-21(15-19-30)24-20-29-25-10-4-3-9-23(24)25/h2-5,8-13,20-21,29,31H,1,6-7,14-19H2,(H,28,32)/b13-12+
InChIKeyBEFZUDZVXGRKIE-OUKQBFOZSA-N
XLogP5.05
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide (CID 44533875) is (E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide is O=C(/C=C/c1ccccc1O)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide?
The InChIKey is BEFZUDZVXGRKIE-OUKQBFOZSA-N. The full InChI is InChI=1S/C27H33N3O2/c31-26-11-5-2-8-22(26)12-13-27(32)28-16-6-1-7-17-30-18-14-21(15-19-30)24-20-29-25-10-4-3-9-23(24)25/h2-5,8-13,20-21,29,31H,1,6-7,14-19H2,(H,28,32)/b13-12+.
What are the key properties of (E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide?
(E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide has a molecular weight of 431.58 g/mol, XLogP of 5.05, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxyphenyl)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide is sourced from PubChem (CID 44533875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).