2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

C23H42N4O3 — CID 24719273

IUPAC2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCOCC(=O)N1CCN(C(C(=O)NCCCN2CCCCC2C)C2CCCC2)CC1
InChIInChI=1S/C23H42N4O3/c1-19-8-5-6-12-25(19)13-7-11-24-23(29)22(20-9-3-4-10-20)27-16-14-26(15-17-27)21(28)18-30-2/h19-20,22H,3-18H2,1-2H3,(H,24,29)
InChIKeyNZNVARNLYXEWTG-UHFFFAOYSA-N
MW422.61 g/mol
LogP1.72
Rot. Bonds9

About 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 24719273) has the molecular formula C23H42N4O3 and a molecular weight of 422.61 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
PubChem CID24719273
Molecular FormulaC23H42N4O3
Molecular Weight422.61 g/mol
Exact Mass422.33
IUPAC Name2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCOCC(=O)N1CCN(C(C(=O)NCCCN2CCCCC2C)C2CCCC2)CC1
InChIInChI=1S/C23H42N4O3/c1-19-8-5-6-12-25(19)13-7-11-24-23(29)22(20-9-3-4-10-20)27-16-14-26(15-17-27)21(28)18-30-2/h19-20,22H,3-18H2,1-2H3,(H,24,29)
InChIKeyNZNVARNLYXEWTG-UHFFFAOYSA-N
XLogP1.72
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]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

4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
N~2~-[(4-methylcyclohexyl)carbonyl]-N-[2-(morpholin-4-yl)ethyl]leucinamide
CID 16478659
1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 71880006
(2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide
CID 155555474
(2S,4R)-4-(2-cyclohexylethyl)-N-(3-morpholin-4-ylpropyl)piperidine-2-carboxamide
CID 156020179
(2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide
CID 75411411
N-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220723
2-Cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 24719833
2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 24719270
(2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682727
(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7164956
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 11887609

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (CID 24719273) is 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is COCC(=O)N1CCN(C(C(=O)NCCCN2CCCCC2C)C2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is NZNVARNLYXEWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O3/c1-19-8-5-6-12-25(19)13-7-11-24-23(29)22(20-9-3-4-10-20)27-16-14-26(15-17-27)21(28)18-30-2/h19-20,22H,3-18H2,1-2H3,(H,24,29).
What are the key properties of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 422.61 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 24719273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).