N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide

C24H41N3O4 — CID 89171571

IUPACN-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide
SMILESCOC1(OOC2CCC(CNC(=O)CN3CCNCC3)CC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H41N3O4/c1-29-24(20-11-18-10-19(13-20)14-21(24)12-18)31-30-22-4-2-17(3-5-22)15-26-23(28)16-27-8-6-25-7-9-27/h17-22,25H,2-16H2,1H3,(H,26,28)
InChIKeyYAFWUHQREFTGKX-UHFFFAOYSA-N
MW435.61 g/mol
LogP2.31
Rot. Bonds8

About N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide

N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide (PubChem CID 89171571) has the molecular formula C24H41N3O4 and a molecular weight of 435.61 g/mol. Its IUPAC name is N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide
PubChem CID89171571
Molecular FormulaC24H41N3O4
Molecular Weight435.61 g/mol
Exact Mass435.31
IUPAC NameN-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide
SMILESCOC1(OOC2CCC(CNC(=O)CN3CCNCC3)CC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H41N3O4/c1-29-24(20-11-18-10-19(13-20)14-21(24)12-18)31-30-22-4-2-17(3-5-22)15-26-23(28)16-27-8-6-25-7-9-27/h17-22,25H,2-16H2,1H3,(H,26,28)
InChIKeyYAFWUHQREFTGKX-UHFFFAOYSA-N
XLogP2.31
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide 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

N-(cyclobutylmethyl)-2-piperazin-1-ylacetamide
CID 43298878
ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide
CID 177321914
4-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525940
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide
CID 54927931
2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide
CID 55228378
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
CID 24989229
CID 24989229
methyl N-(2-piperazin-1-ylacetyl)carbamate
CID 43162377
N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 69457989
N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide
CID 114105696

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide (CID 89171571) is N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide is COC1(OOC2CCC(CNC(=O)CN3CCNCC3)CC2)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide?
The InChIKey is YAFWUHQREFTGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O4/c1-29-24(20-11-18-10-19(13-20)14-21(24)12-18)31-30-22-4-2-17(3-5-22)15-26-23(28)16-27-8-6-25-7-9-27/h17-22,25H,2-16H2,1H3,(H,26,28).
What are the key properties of N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide?
N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide has a molecular weight of 435.61 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 89171571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).