N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide

C15H18Cl2N2O3 — CID 111452400

IUPACN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C(CN1CCCCC1=O)NCC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2N2O3/c16-10-4-3-5-11(17)15(10)12(20)8-18-13(21)9-19-7-2-1-6-14(19)22/h3-5,12,20H,1-2,6-9H2,(H,18,21)
InChIKeyLXZHLLSBUPOGMU-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 111452400) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID111452400
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C(CN1CCCCC1=O)NCC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2N2O3/c16-10-4-3-5-11(17)15(10)12(20)8-18-13(21)9-19-7-2-1-6-14(19)22/h3-5,12,20H,1-2,6-9H2,(H,18,21)
InChIKeyLXZHLLSBUPOGMU-UHFFFAOYSA-N
XLogP2.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 122132393
N-(2-amino-2-phenylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 119528982
N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 119528362
dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium
CID 9464030
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 33281524
(2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid
CID 107314795
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726264
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 103769873
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 99810576
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 163305963

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 111452400) is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide is O=C(CN1CCCCC1=O)NCC(O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is LXZHLLSBUPOGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c16-10-4-3-5-11(17)15(10)12(20)8-18-13(21)9-19-7-2-1-6-14(19)22/h3-5,12,20H,1-2,6-9H2,(H,18,21).
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 345.23 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 111452400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).