N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide

C24H32N2O3 — CID 108555861

IUPACN-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H32N2O3/c27-22(16-29-21-4-2-1-3-5-21)25-20-6-8-26(9-7-20)23(28)24-13-17-10-18(14-24)12-19(11-17)15-24/h1-5,17-20H,6-16H2,(H,25,27)
InChIKeyQSRVKRLDYBVRPL-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.39
Rot. Bonds5

About N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide

N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide (PubChem CID 108555861) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
PubChem CID108555861
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H32N2O3/c27-22(16-29-21-4-2-1-3-5-21)25-20-6-8-26(9-7-20)23(28)24-13-17-10-18(14-24)12-19(11-17)15-24/h1-5,17-20H,6-16H2,(H,25,27)
InChIKeyQSRVKRLDYBVRPL-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenylacetamide
CID 108551322
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
CID 108557120
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108553040
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 51292586
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
CID 51294878
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-phenoxybutanamide
CID 108553602
1-adamantyl-(4-phenylpiperidin-1-yl)methanone
CID 2921328
2-(4-chlorophenoxy)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108554314
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402

Frequently Asked Questions

What is the IUPAC name of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide (CID 108555861) is N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide?
The InChIKey is QSRVKRLDYBVRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c27-22(16-29-21-4-2-1-3-5-21)25-20-6-8-26(9-7-20)23(28)24-13-17-10-18(14-24)12-19(11-17)15-24/h1-5,17-20H,6-16H2,(H,25,27).
What are the key properties of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide?
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide has a molecular weight of 396.53 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide is sourced from PubChem (CID 108555861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).