(5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride

C18H20Cl2N2O2 — CID 70156229

IUPAC(5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CN[C@@H](COCc2ccccc2)CN1c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2.ClH/c19-15-7-4-8-17(9-15)21-11-16(20-10-18(21)22)13-23-12-14-5-2-1-3-6-14;/h1-9,16,20H,10-13H2;1H/t16-;/m1./s1
InChIKeyPETZWKBMNGCUOC-PKLMIRHRSA-N
MW367.28 g/mol
LogP3.28
Rot. Bonds5

About (5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride

(5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride (PubChem CID 70156229) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is (5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name(5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride
PubChem CID70156229
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name(5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CN[C@@H](COCc2ccccc2)CN1c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2.ClH/c19-15-7-4-8-17(9-15)21-11-16(20-10-18(21)22)13-23-12-14-5-2-1-3-6-14;/h1-9,16,20H,10-13H2;1H/t16-;/m1./s1
InChIKeyPETZWKBMNGCUOC-PKLMIRHRSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-1-(3-chlorophenyl)-5-(2-methylsulfonylethyl)piperazin-2-one;hydrochloride
CID 22941035
2-[(3-chlorophenyl)methoxymethyl]azetidine
CID 115070958
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one
CID 116817372
1-benzyl-3-(phenylmethoxymethyl)piperazine
CID 53395029
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
(3R,4R,5S)-2-[(3-chlorophenyl)methyl]-1,1-dioxo-3-(phenylmethoxymethyl)thiazinane-4,5-diol
CID 25011136
(2S)-2-(phenylmethoxymethyl)azetidine
CID 86324293
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
3-benzyl-1-(3-chlorophenyl)piperazine
CID 64924476
[5-oxo-1-(3-phenylmethoxyphenyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677695
benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 16921139

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride?
The IUPAC name of (5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride (CID 70156229) is (5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for (5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for (5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride is Cl.O=C1CN[C@@H](COCc2ccccc2)CN1c1cccc(Cl)c1.
What is the InChIKey of (5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride?
The InChIKey is PETZWKBMNGCUOC-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H19ClN2O2.ClH/c19-15-7-4-8-17(9-15)21-11-16(20-10-18(21)22)13-23-12-14-5-2-1-3-6-14;/h1-9,16,20H,10-13H2;1H/t16-;/m1./s1.
What are the key properties of (5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride?
(5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride has a molecular weight of 367.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(3-chlorophenyl)-5-(phenylmethoxymethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 70156229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).