N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide

C21H30FN3O — CID 24534438

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2F)CC1)NCCC1=CCCCC1
InChIInChI=1S/C21H30FN3O/c22-20-9-5-4-8-19(20)16-24-12-14-25(15-13-24)17-21(26)23-11-10-18-6-2-1-3-7-18/h4-6,8-9H,1-3,7,10-17H2,(H,23,26)
InChIKeyCMOPLZCBVNUTOJ-UHFFFAOYSA-N
MW359.49 g/mol
LogP2.95
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 24534438) has the molecular formula C21H30FN3O and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID24534438
Molecular FormulaC21H30FN3O
Molecular Weight359.49 g/mol
Exact Mass359.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2F)CC1)NCCC1=CCCCC1
InChIInChI=1S/C21H30FN3O/c22-20-9-5-4-8-19(20)16-24-12-14-25(15-13-24)17-21(26)23-11-10-18-6-2-1-3-7-18/h4-6,8-9H,1-3,7,10-17H2,(H,23,26)
InChIKeyCMOPLZCBVNUTOJ-UHFFFAOYSA-N
XLogP2.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide 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

2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 17148746
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide
CID 166232642
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide
CID 17148751
N-[2-(cyclohexen-1-yl)ethyl]-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899982
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 134011223
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-[(2-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922850
N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 109014679
2-[4-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-1,4-diazepan-1-yl]-N-(2-phenylethyl)acetamide
CID 74225204
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435209
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide
CID 108995730

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 24534438) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccccc2F)CC1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is CMOPLZCBVNUTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O/c22-20-9-5-4-8-19(20)16-24-12-14-25(15-13-24)17-21(26)23-11-10-18-6-2-1-3-7-18/h4-6,8-9H,1-3,7,10-17H2,(H,23,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 359.49 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24534438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).