1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate

C16H20NO4- — CID 9156670

IUPAC1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCc1cccc(C)c1OCC(=O)N1CCC(C(=O)[O-])CC1
InChIInChI=1S/C16H21NO4/c1-11-4-3-5-12(2)15(11)21-10-14(18)17-8-6-13(7-9-17)16(19)20/h3-5,13H,6-10H2,1-2H3,(H,19,20)/p-1
InChIKeyGZGAATQFHTYZFB-UHFFFAOYSA-M
MW290.34 g/mol
LogP0.67
Rot. Bonds4

About 1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate

1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate (PubChem CID 9156670) has the molecular formula C16H20NO4- and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate
PubChem CID9156670
Molecular FormulaC16H20NO4-
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCc1cccc(C)c1OCC(=O)N1CCC(C(=O)[O-])CC1
InChIInChI=1S/C16H21NO4/c1-11-4-3-5-12(2)15(11)21-10-14(18)17-8-6-13(7-9-17)16(19)20/h3-5,13H,6-10H2,1-2H3,(H,19,20)/p-1
InChIKeyGZGAATQFHTYZFB-UHFFFAOYSA-M
XLogP0.67
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39363116
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
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848
N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide
CID 26456516
2-(2,6-dimethylphenoxy)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 46445731
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092125
2-(2,6-dimethylphenoxy)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 27876650
N-[(4S,5S)-1-[2-(2,6-dimethylphenoxy)acetyl]-5-hydroxyazepan-4-yl]-2-methylpropanamide
CID 110164350
2-(2,6-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4816169
3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 97179232
N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide
CID 51299605

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate?
The IUPAC name of 1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate (CID 9156670) is 1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for 1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate?
The canonical SMILES for 1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate is Cc1cccc(C)c1OCC(=O)N1CCC(C(=O)[O-])CC1.
What is the InChIKey of 1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate?
The InChIKey is GZGAATQFHTYZFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H21NO4/c1-11-4-3-5-12(2)15(11)21-10-14(18)17-8-6-13(7-9-17)16(19)20/h3-5,13H,6-10H2,1-2H3,(H,19,20)/p-1.
What are the key properties of 1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate?
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 9156670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).