2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide

C23H39N3O — CID 131907539

IUPAC2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide
SMILESCN1CCN(C2(CNC(=O)CC34CC5CC(CC(C5)C3)C4)CCCC2)CC1
InChIInChI=1S/C23H39N3O/c1-25-6-8-26(9-7-25)23(4-2-3-5-23)17-24-21(27)16-22-13-18-10-19(14-22)12-20(11-18)15-22/h18-20H,2-17H2,1H3,(H,24,27)
InChIKeyOWBVCACDXRFESC-UHFFFAOYSA-N
MW373.59 g/mol
LogP3.27
Rot. Bonds5

About 2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide

2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide (PubChem CID 131907539) has the molecular formula C23H39N3O and a molecular weight of 373.59 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide
PubChem CID131907539
Molecular FormulaC23H39N3O
Molecular Weight373.59 g/mol
Exact Mass373.31
IUPAC Name2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide
SMILESCN1CCN(C2(CNC(=O)CC34CC5CC(CC(C5)C3)C4)CCCC2)CC1
InChIInChI=1S/C23H39N3O/c1-25-6-8-26(9-7-25)23(4-2-3-5-23)17-24-21(27)16-22-13-18-10-19(14-22)12-20(11-18)15-22/h18-20H,2-17H2,1H3,(H,24,27)
InChIKeyOWBVCACDXRFESC-UHFFFAOYSA-N
XLogP3.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide (CID 131907539) is 2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide is CN1CCN(C2(CNC(=O)CC34CC5CC(CC(C5)C3)C4)CCCC2)CC1.
What is the InChIKey of 2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide?
The InChIKey is OWBVCACDXRFESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O/c1-25-6-8-26(9-7-25)23(4-2-3-5-23)17-24-21(27)16-22-13-18-10-19(14-22)12-20(11-18)15-22/h18-20H,2-17H2,1H3,(H,24,27).
What are the key properties of 2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide?
2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide has a molecular weight of 373.59 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 131907539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).