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

C23H36N4O3 — CID 60502756

IUPAC2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(CC(=O)NC(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C23H36N4O3/c1-30-16-11-24-21(28)17-26-12-14-27(15-13-26)18-22(29)25-23(20-9-5-6-10-20)19-7-3-2-4-8-19/h2-4,7-8,20,23H,5-6,9-18H2,1H3,(H,24,28)(H,25,29)
InChIKeyRZHOPOLAKMAYLM-UHFFFAOYSA-N
MW416.57 g/mol
LogP1.41
Rot. Bonds10

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

2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 60502756) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID60502756
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(CC(=O)NC(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C23H36N4O3/c1-30-16-11-24-21(28)17-26-12-14-27(15-13-26)18-22(29)25-23(20-9-5-6-10-20)19-7-3-2-4-8-19/h2-4,7-8,20,23H,5-6,9-18H2,1H3,(H,24,28)(H,25,29)
InChIKeyRZHOPOLAKMAYLM-UHFFFAOYSA-N
XLogP1.41
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.41
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(phenyl)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-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502696
N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 129367856
2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51632258
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 124778855
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836348
N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959379
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 42851078
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836370
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 55432632
N-(2-methoxyethyl)-2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24507241
1-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909069

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 60502756) is 2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(CC(=O)NC(c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of 2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is RZHOPOLAKMAYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-30-16-11-24-21(28)17-26-12-14-27(15-13-26)18-22(29)25-23(20-9-5-6-10-20)19-7-3-2-4-8-19/h2-4,7-8,20,23H,5-6,9-18H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 416.57 g/mol, XLogP of 1.41, 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(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 60502756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).