1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid

C14H15Cl2NO3 — CID 17494701

IUPAC1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C14H15Cl2NO3/c15-11-2-1-3-12(16)10(11)8-13(18)17-6-4-9(5-7-17)14(19)20/h1-3,9H,4-8H2,(H,19,20)
InChIKeyKSQAEODBYGDIQU-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.86
Rot. Bonds3

About 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid

1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid (PubChem CID 17494701) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
PubChem CID17494701
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C14H15Cl2NO3/c15-11-2-1-3-12(16)10(11)8-13(18)17-6-4-9(5-7-17)14(19)20/h1-3,9H,4-8H2,(H,19,20)
InChIKeyKSQAEODBYGDIQU-UHFFFAOYSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid
CID 146102267
2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 55589570
2-cyclopentyl-1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]ethanone
CID 55567234
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride
CID 119520540
methyl 1-[2-(2,6-dichlorophenyl)acetyl]pyrrolidine-3-carboxylate
CID 112733652
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2,6-dichlorophenyl)ethanone
CID 119638994
2-(2,6-dichlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746374
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid
CID 43239840
1-(4-aminopiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 119376793
2-(2-chloro-6-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 78785496
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone
CID 60526232

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid (CID 17494701) is 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is KSQAEODBYGDIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-11-2-1-3-12(16)10(11)8-13(18)17-6-4-9(5-7-17)14(19)20/h1-3,9H,4-8H2,(H,19,20).
What are the key properties of 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid?
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 316.18 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 17494701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).