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

C14H15Cl2NO3 — CID 43239840

IUPAC1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-10-4-3-5-11(16)9(10)8-13(18)17-7-2-1-6-12(17)14(19)20/h3-5,12H,1-2,6-8H2,(H,19,20)
InChIKeyCRCWZXZETQPXHI-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.00
Rot. Bonds3

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

1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid (PubChem CID 43239840) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid
PubChem CID43239840
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-10-4-3-5-11(16)9(10)8-13(18)17-7-2-1-6-12(17)14(19)20/h3-5,12H,1-2,6-8H2,(H,19,20)
InChIKeyCRCWZXZETQPXHI-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 136584493
2-(2,6-dichlorophenyl)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636222
1-[2-(2,4-dichlorophenyl)acetyl]azepane-2-carboxylic acid
CID 64558807
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
2-(2,6-dichlorophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61409223
2-(2,6-dichlorophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260583
(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 55151521
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 9200644
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
CID 17494701
1-[2-(4-hydroxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64558978
(2S)-1-[3-(2,6-difluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99623401
(2R)-1-[3-(2-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 79035190

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid (CID 43239840) is 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is CRCWZXZETQPXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-10-4-3-5-11(16)9(10)8-13(18)17-7-2-1-6-12(17)14(19)20/h3-5,12H,1-2,6-8H2,(H,19,20).
What are the key properties of 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid?
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 316.18 g/mol, XLogP of 3.00, 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-2-carboxylic acid is sourced from PubChem (CID 43239840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).