N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide

C23H28N2O3 — CID 26456516

IUPACN-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCc1cccc(C)c1OCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-17-7-6-8-18(2)22(17)28-16-21(26)25-13-11-20(12-14-25)23(27)24-15-19-9-4-3-5-10-19/h3-10,20H,11-16H2,1-2H3,(H,24,27)
InChIKeyZCOGCBLPZCUNCO-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.24
Rot. Bonds6

About N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide

N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 26456516) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide
PubChem CID26456516
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCc1cccc(C)c1OCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-17-7-6-8-18(2)22(17)28-16-21(26)25-13-11-20(12-14-25)23(27)24-15-19-9-4-3-5-10-19/h3-10,20H,11-16H2,1-2H3,(H,24,27)
InChIKeyZCOGCBLPZCUNCO-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
CID 27832067
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156670
N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 86931753
2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39363116
1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003971
N-benzyl-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 38063205
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
CID 119376715
2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55956198
N-benzyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide
CID 46492982
2-(2,6-dimethylphenoxy)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 46445731

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide (CID 26456516) is N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide is Cc1cccc(C)c1OCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is ZCOGCBLPZCUNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-7-6-8-18(2)22(17)28-16-21(26)25-13-11-20(12-14-25)23(27)24-15-19-9-4-3-5-10-19/h3-10,20H,11-16H2,1-2H3,(H,24,27).
What are the key properties of N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide?
N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 26456516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).