1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

C26H27N3O2 — CID 24819332

IUPAC1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C26H27N3O2/c30-26(28-24-14-4-5-15-25(24)31-23-13-6-16-27-19-23)22-12-8-18-29(20-22)17-7-11-21-9-2-1-3-10-21/h1-7,9-11,13-16,19,22H,8,12,17-18,20H2,(H,28,30)/b11-7+
InChIKeyYOKBPLZKZAGVRJ-YRNVUSSQSA-N
MW413.52 g/mol
LogP5.24
Rot. Bonds7

About 1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 24819332) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
PubChem CID24819332
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C26H27N3O2/c30-26(28-24-14-4-5-15-25(24)31-23-13-6-16-27-19-23)22-12-8-18-29(20-22)17-7-11-21-9-2-1-3-10-21/h1-7,9-11,13-16,19,22H,8,12,17-18,20H2,(H,28,30)/b11-7+
InChIKeyYOKBPLZKZAGVRJ-YRNVUSSQSA-N
XLogP5.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide 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

Tirbanibulin
CID 23635314
Asp-8477
CID 15950844
N-(pyridin-4-yl)-9H-xanthene-9-carboxamide
CID 659939
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
5-({3-[4-(Morpholin-4-yl)benzamido]phenyl}methoxy)pyridine-3-carboxamide
CID 121231415
1-(4-methoxybenzyl)-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24790246
(2S)-1-(benzyloxy)-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propan-2-amine
CID 10309109
N-(2-methoxyphenyl)nicotinamide
CID 787042
N-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-nicotinamide
CID 9998277
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-nicotinamide
CID 10067621
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101
3,4,5,6-Tetrahydro-2H-[1,4'']bipyridinyl-4-carboxylic acid [2-(3-carbamimidoyl-phenoxy)-ethyl]-amide
CID 44297775

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (CID 24819332) is 1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Oc1cccnc1)C1CCCN(C/C=C/c2ccccc2)C1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is YOKBPLZKZAGVRJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-26(28-24-14-4-5-15-25(24)31-23-13-6-16-27-19-23)22-12-8-18-29(20-22)17-7-11-21-9-2-1-3-10-21/h1-7,9-11,13-16,19,22H,8,12,17-18,20H2,(H,28,30)/b11-7+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24819332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).