3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

C16H20ClN3O3 — CID 56807735

IUPAC3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3O3/c17-14-3-1-2-13(12-14)15(21)19-7-4-18(5-8-19)6-9-20-10-11-23-16(20)22/h1-3,12H,4-11H2
InChIKeyUQZGOADIRCUDNG-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.55
Rot. Bonds4

About 3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 56807735) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID56807735
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3O3/c17-14-3-1-2-13(12-14)15(21)19-7-4-18(5-8-19)6-9-20-10-11-23-16(20)22/h1-3,12H,4-11H2
InChIKeyUQZGOADIRCUDNG-UHFFFAOYSA-N
XLogP1.55
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chloroethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 39161623
[4-(2-bromoethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 80661118
3-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707208
(3-chlorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788574
(3-chlorophenyl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907382
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 873489
[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 134120763
(3-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366065
(3-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638153
N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide
CID 110359222
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 56807735) is 3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCN1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is UQZGOADIRCUDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c17-14-3-1-2-13(12-14)15(21)19-7-4-18(5-8-19)6-9-20-10-11-23-16(20)22/h1-3,12H,4-11H2.
What are the key properties of 3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 337.81 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56807735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).