Piperidine, 1-(3,4,5-trimethoxycinnamoyl)-

C17H23NO4 — CID 1051540

IUPAC(E)-1-piperidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCCC2
InChIInChI=1S/C17H23NO4/c1-20-14-11-13(12-15(21-2)17(14)22-3)7-8-16(19)18-9-5-4-6-10-18/h7-8,11-12H,4-6,9-10H2,1-3H3/b8-7+
InChIKeyGGOVLAUMYLPYAZ-BQYQJAHWSA-N
MW305.40 g/mol
LogP2.60
Rot. Bonds5

About Piperidine, 1-(3,4,5-trimethoxycinnamoyl)-

Piperidine, 1-(3,4,5-trimethoxycinnamoyl)- (PubChem CID 1051540) has the molecular formula C17H23NO4 and a molecular weight of 305.40 g/mol. Its IUPAC name is (E)-1-piperidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound NamePiperidine, 1-(3,4,5-trimethoxycinnamoyl)-
PubChem CID1051540
Molecular FormulaC17H23NO4
Molecular Weight305.40 g/mol
Exact Mass305.16
IUPAC Name(E)-1-piperidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCCC2
InChIInChI=1S/C17H23NO4/c1-20-14-11-13(12-15(21-2)17(14)22-3)7-8-16(19)18-9-5-4-6-10-18/h7-8,11-12H,4-6,9-10H2,1-3H3/b8-7+
InChIKeyGGOVLAUMYLPYAZ-BQYQJAHWSA-N
XLogP2.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity365

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze Piperidine, 1-(3,4,5-trimethoxycinnamoyl)- 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 Piperidine, 1-(3,4,5-trimethoxycinnamoyl)-?
The IUPAC name of Piperidine, 1-(3,4,5-trimethoxycinnamoyl)- (CID 1051540) is (E)-1-piperidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for Piperidine, 1-(3,4,5-trimethoxycinnamoyl)-?
The canonical SMILES for Piperidine, 1-(3,4,5-trimethoxycinnamoyl)- is COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCCC2.
What is the InChIKey of Piperidine, 1-(3,4,5-trimethoxycinnamoyl)-?
The InChIKey is GGOVLAUMYLPYAZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H23NO4/c1-20-14-11-13(12-15(21-2)17(14)22-3)7-8-16(19)18-9-5-4-6-10-18/h7-8,11-12H,4-6,9-10H2,1-3H3/b8-7+.
What are the key properties of Piperidine, 1-(3,4,5-trimethoxycinnamoyl)-?
Piperidine, 1-(3,4,5-trimethoxycinnamoyl)- has a molecular weight of 305.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Piperidine, 1-(3,4,5-trimethoxycinnamoyl)- is sourced from PubChem (CID 1051540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).