2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide

C22H27N3O — CID 123331590

IUPAC2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide
SMILESC=CC=C(C=C)C(=O)NC1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H27N3O/c1-3-7-17(4-2)22(26)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-6-5-8-20(18)21/h3-9,16,19,23H,1-2,10-15H2,(H,24,26)
InChIKeyROQLDUKHPLSLEP-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.59
Rot. Bonds7

About 2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide

2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide (PubChem CID 123331590) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide.

Molecular Properties

Compound Name2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide
PubChem CID123331590
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide
SMILESC=CC=C(C=C)C(=O)NC1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H27N3O/c1-3-7-17(4-2)22(26)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-6-5-8-20(18)21/h3-9,16,19,23H,1-2,10-15H2,(H,24,26)
InChIKeyROQLDUKHPLSLEP-UHFFFAOYSA-N
XLogP3.59
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 165485504
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
CID 13180278
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 22754835
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 172664377
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide?
The IUPAC name of 2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide (CID 123331590) is 2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide.
What is the SMILES notation for 2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide?
The canonical SMILES for 2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide is C=CC=C(C=C)C(=O)NC1CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide?
The InChIKey is ROQLDUKHPLSLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-3-7-17(4-2)22(26)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-6-5-8-20(18)21/h3-9,16,19,23H,1-2,10-15H2,(H,24,26).
What are the key properties of 2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide?
2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide has a molecular weight of 349.48 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide is sourced from PubChem (CID 123331590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).