N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide

C26H36N2O3 — CID 108553040

IUPACN-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1C
InChIInChI=1S/C26H36N2O3/c1-17-3-4-23(9-18(17)2)31-16-24(29)27-22-5-7-28(8-6-22)25(30)26-13-19-10-20(14-26)12-21(11-19)15-26/h3-4,9,19-22H,5-8,10-16H2,1-2H3,(H,27,29)
InChIKeyLRUUBQGCFCRGDF-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.01
Rot. Bonds5

About N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide

N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 108553040) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID108553040
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1C
InChIInChI=1S/C26H36N2O3/c1-17-3-4-23(9-18(17)2)31-16-24(29)27-22-5-7-28(8-6-22)25(30)26-13-19-10-20(14-26)12-21(11-19)15-26/h3-4,9,19-22H,5-8,10-16H2,1-2H3,(H,27,29)
InChIKeyLRUUBQGCFCRGDF-UHFFFAOYSA-N
XLogP4.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555861
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
CID 108557120
2-chloroethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560897
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108560886
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552968
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108553005
2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108560903
2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide
CID 108553006
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968

Frequently Asked Questions

What is the IUPAC name of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide (CID 108553040) is N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1C.
What is the InChIKey of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is LRUUBQGCFCRGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-17-3-4-23(9-18(17)2)31-16-24(29)27-22-5-7-28(8-6-22)25(30)26-13-19-10-20(14-26)12-21(11-19)15-26/h3-4,9,19-22H,5-8,10-16H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 424.59 g/mol, XLogP of 4.01, 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-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 108553040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).