(3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one

C15H19ClN2O2 — CID 94179417

IUPAC(3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one
SMILESC[C@@H]1C[C@H](N2CCN(c3cccc(Cl)c3)CC2)C(=O)O1
InChIInChI=1S/C15H19ClN2O2/c1-11-9-14(15(19)20-11)18-7-5-17(6-8-18)13-4-2-3-12(16)10-13/h2-4,10-11,14H,5-9H2,1H3/t11-,14+/m1/s1
InChIKeyKMGRHONINIQVDJ-RISCZKNCSA-N
MW294.78 g/mol
LogP2.17
Rot. Bonds2

About (3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one

(3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one (PubChem CID 94179417) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one
PubChem CID94179417
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one
SMILESC[C@@H]1C[C@H](N2CCN(c3cccc(Cl)c3)CC2)C(=O)O1
InChIInChI=1S/C15H19ClN2O2/c1-11-9-14(15(19)20-11)18-7-5-17(6-8-18)13-4-2-3-12(16)10-13/h2-4,10-11,14H,5-9H2,1H3/t11-,14+/m1/s1
InChIKeyKMGRHONINIQVDJ-RISCZKNCSA-N
XLogP2.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one
CID 94179418
2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one
CID 62053498
(3S,5R)-3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-5-methyloxolan-2-one
CID 94181962
4-(3-chlorophenyl)-2-methylmorpholine
CID 170319463
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467
1-(3-chlorophenyl)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2949652
(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1288254
(3S)-1-(4-bromophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1041111
(3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2689096
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78782366
trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 102731807
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one?
The IUPAC name of (3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one (CID 94179417) is (3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one.
What is the SMILES notation for (3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one?
The canonical SMILES for (3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one is C[C@@H]1C[C@H](N2CCN(c3cccc(Cl)c3)CC2)C(=O)O1.
What is the InChIKey of (3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one?
The InChIKey is KMGRHONINIQVDJ-RISCZKNCSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11-9-14(15(19)20-11)18-7-5-17(6-8-18)13-4-2-3-12(16)10-13/h2-4,10-11,14H,5-9H2,1H3/t11-,14+/m1/s1.
What are the key properties of (3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one?
(3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one has a molecular weight of 294.78 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 94179417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).