5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one

C17H22Cl2N2O3 — CID 139771268

IUPAC5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one
SMILESO=C1CNC(CCOC2CCCCO2)(c2ccc(Cl)c(Cl)c2)CN1
InChIInChI=1S/C17H22Cl2N2O3/c18-13-5-4-12(9-14(13)19)17(11-20-15(22)10-21-17)6-8-24-16-3-1-2-7-23-16/h4-5,9,16,21H,1-3,6-8,10-11H2,(H,20,22)
InChIKeyLFZFJGPOHHGHPG-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.84
Rot. Bonds5

About 5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one

5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one (PubChem CID 139771268) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one
PubChem CID139771268
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC Name5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one
SMILESO=C1CNC(CCOC2CCCCO2)(c2ccc(Cl)c(Cl)c2)CN1
InChIInChI=1S/C17H22Cl2N2O3/c18-13-5-4-12(9-14(13)19)17(11-20-15(22)10-21-17)6-8-24-16-3-1-2-7-23-16/h4-5,9,16,21H,1-3,6-8,10-11H2,(H,20,22)
InChIKeyLFZFJGPOHHGHPG-UHFFFAOYSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]-1,3-oxazinan-2-one
CID 21200461
1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one
CID 21200634
[3-(3,4-dichlorophenyl)-3-[3-(oxan-2-yloxy)propyl]piperidin-1-yl]-phenylmethanone
CID 54102650
2-[3-(3,4-dichlorophenyl)butoxy]oxane
CID 57302396
1-benzyl-5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]piperidin-2-one
CID 19692506
[3-(3,4-dichlorophenyl)-3-[3-(oxan-2-yloxy)propyl]azepan-1-yl]-phenylmethanone
CID 22741745
2-[4-[(3,4-dichlorophenyl)methylsulfanyl]butoxy]oxane
CID 2794924
3-cyano-3-(3,4-dichlorophenyl)-5-(oxan-2-yloxy)pentanoate
CID 22376634
3-chloro-2-(oxan-2-yloxymethyl)pyridine
CID 168944061
5-cyano-5-(3,4-dichlorophenyl)-7-(oxan-2-yloxy)heptanoic acid
CID 22376646
2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol
CID 69449644
2-[4-(oxan-2-yloxy)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 69358675

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one (CID 139771268) is 5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one is O=C1CNC(CCOC2CCCCO2)(c2ccc(Cl)c(Cl)c2)CN1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one?
The InChIKey is LFZFJGPOHHGHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3/c18-13-5-4-12(9-14(13)19)17(11-20-15(22)10-21-17)6-8-24-16-3-1-2-7-23-16/h4-5,9,16,21H,1-3,6-8,10-11H2,(H,20,22).
What are the key properties of 5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one?
5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one has a molecular weight of 373.28 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]piperazin-2-one is sourced from PubChem (CID 139771268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).