N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide

C20H29FN2O — CID 23724009

IUPACN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide
SMILESC=CCC(=O)N(CC)CC1CCCN(CCc2cccc(F)c2)C1
InChIInChI=1S/C20H29FN2O/c1-3-7-20(24)23(4-2)16-18-9-6-12-22(15-18)13-11-17-8-5-10-19(21)14-17/h3,5,8,10,14,18H,1,4,6-7,9,11-13,15-16H2,2H3
InChIKeySCJUNDRPSQVAHP-UHFFFAOYSA-N
MW332.46 g/mol
LogP3.50
Rot. Bonds8

About N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide

N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide (PubChem CID 23724009) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide
PubChem CID23724009
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide
SMILESC=CCC(=O)N(CC)CC1CCCN(CCc2cccc(F)c2)C1
InChIInChI=1S/C20H29FN2O/c1-3-7-20(24)23(4-2)16-18-9-6-12-22(15-18)13-11-17-8-5-10-19(21)14-17/h3,5,8,10,14,18H,1,4,6-7,9,11-13,15-16H2,2H3
InChIKeySCJUNDRPSQVAHP-UHFFFAOYSA-N
XLogP3.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide 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

AI3-37157
CID 760213
AI3-37156
CID 897567
Piperidine, N-acetyl-4-benzyl-
CID 299608
N-Acetylmethamphetamine
CID 526655
Methyl-AP-237
CID 6447699
3-(4-Isobutylphenyl)-1-piperidino-2-propen-1-one
CID 6116364
1-(4-Ethylpiperazin-1-yl)-2-phenylethanone
CID 3328378
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
4-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 9804326

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide?
The IUPAC name of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide (CID 23724009) is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide.
What is the SMILES notation for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide?
The canonical SMILES for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide is C=CCC(=O)N(CC)CC1CCCN(CCc2cccc(F)c2)C1.
What is the InChIKey of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide?
The InChIKey is SCJUNDRPSQVAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O/c1-3-7-20(24)23(4-2)16-18-9-6-12-22(15-18)13-11-17-8-5-10-19(21)14-17/h3,5,8,10,14,18H,1,4,6-7,9,11-13,15-16H2,2H3.
What are the key properties of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide?
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide has a molecular weight of 332.46 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]but-3-enamide is sourced from PubChem (CID 23724009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).