2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide

C23H35FN4O3 — CID 60502696

IUPAC2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(CC(=O)NC(c2ccc(F)cc2)C2CCCC2)CC1
InChIInChI=1S/C23H35FN4O3/c1-31-15-10-25-21(29)16-27-11-13-28(14-12-27)17-22(30)26-23(18-4-2-3-5-18)19-6-8-20(24)9-7-19/h6-9,18,23H,2-5,10-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyCIVDOFKTYLMOHA-UHFFFAOYSA-N
MW434.56 g/mol
LogP1.55
Rot. Bonds10

About 2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 60502696) has the molecular formula C23H35FN4O3 and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID60502696
Molecular FormulaC23H35FN4O3
Molecular Weight434.56 g/mol
Exact Mass434.27
IUPAC Name2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(CC(=O)NC(c2ccc(F)cc2)C2CCCC2)CC1
InChIInChI=1S/C23H35FN4O3/c1-31-15-10-25-21(29)16-27-11-13-28(14-12-27)17-22(30)26-23(18-4-2-3-5-18)19-6-8-20(24)9-7-19/h6-9,18,23H,2-5,10-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyCIVDOFKTYLMOHA-UHFFFAOYSA-N
XLogP1.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)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-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502756
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 36851040
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120589393
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 97021767
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119735348
2-(4-cyclohexyloxypiperidin-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 86873908
N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 129367856
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906984
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119775061
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 86825537

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 60502696) is 2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(CC(=O)NC(c2ccc(F)cc2)C2CCCC2)CC1.
What is the InChIKey of 2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is CIVDOFKTYLMOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN4O3/c1-31-15-10-25-21(29)16-27-11-13-28(14-12-27)17-22(30)26-23(18-4-2-3-5-18)19-6-8-20(24)9-7-19/h6-9,18,23H,2-5,10-17H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 434.56 g/mol, XLogP of 1.55, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 60502696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).