[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

C16H18Cl2N2O4 — CID 9200644

IUPAC[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESNC(=O)[C@@H]1CCCCN1C(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H18Cl2N2O4/c17-11-4-3-5-12(18)10(11)8-15(22)24-9-14(21)20-7-2-1-6-13(20)16(19)23/h3-5,13H,1-2,6-9H2,(H2,19,23)/t13-/m0/s1
InChIKeyCXBMGTUYPAFKOI-ZDUSSCGKSA-N
MW373.24 g/mol
LogP1.95
Rot. Bonds5

About [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 9200644) has the molecular formula C16H18Cl2N2O4 and a molecular weight of 373.24 g/mol. Its IUPAC name is [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID9200644
Molecular FormulaC16H18Cl2N2O4
Molecular Weight373.24 g/mol
Exact Mass372.06
IUPAC Name[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESNC(=O)[C@@H]1CCCCN1C(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H18Cl2N2O4/c17-11-4-3-5-12(18)10(11)8-15(22)24-9-14(21)20-7-2-1-6-13(20)16(19)23/h3-5,13H,1-2,6-9H2,(H2,19,23)/t13-/m0/s1
InChIKeyCXBMGTUYPAFKOI-ZDUSSCGKSA-N
XLogP1.95
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 9019324
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid
CID 43239840
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 9203023
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203308
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 9070858
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 9081155
(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 9199923
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2363984
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 8808423
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8642134
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887216
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate
CID 9009258

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 9200644) is [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is CXBMGTUYPAFKOI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18Cl2N2O4/c17-11-4-3-5-12(18)10(11)8-15(22)24-9-14(21)20-7-2-1-6-13(20)16(19)23/h3-5,13H,1-2,6-9H2,(H2,19,23)/t13-/m0/s1.
What are the key properties of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 373.24 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 9200644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).