2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide

C26H36N2O4 — CID 108551002

IUPAC2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCOc1ccccc1OCC(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C26H36N2O4/c1-31-22-4-2-3-5-23(22)32-17-25(30)28-8-6-21(7-9-28)27-24(29)16-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-5,18-21H,6-17H2,1H3,(H,27,29)
InChIKeyRLMXYNIHACKELY-UHFFFAOYSA-N
MW440.58 g/mol
LogP3.79
Rot. Bonds7

About 2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide

2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide (PubChem CID 108551002) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
PubChem CID108551002
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCOc1ccccc1OCC(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C26H36N2O4/c1-31-22-4-2-3-5-23(22)32-17-25(30)28-8-6-21(7-9-28)27-24(29)16-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-5,18-21H,6-17H2,1H3,(H,27,29)
InChIKeyRLMXYNIHACKELY-UHFFFAOYSA-N
XLogP3.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557222
2-ethyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555633
N-cyclopropyl-1-[2-(2-methoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 113002547
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
2-(2-methoxyphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108556685
4-tert-butyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554170
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide
CID 108553602
2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108566626
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822362
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324414

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide (CID 108551002) is 2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide is COc1ccccc1OCC(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide?
The InChIKey is RLMXYNIHACKELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-31-22-4-2-3-5-23(22)32-17-25(30)28-8-6-21(7-9-28)27-24(29)16-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-5,18-21H,6-17H2,1H3,(H,27,29).
What are the key properties of 2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide?
2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide has a molecular weight of 440.58 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108551002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).