(3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one

C17H24ClN3O2 — CID 139922171

IUPAC(3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESCOCN1CCN(C[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1
InChIInChI=1S/C17H24ClN3O2/c1-23-13-20-10-8-19(9-11-20)12-14-6-7-21(17(14)22)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3/t14-/m1/s1
InChIKeyGPPJZBFIAHHNGN-CQSZACIVSA-N
MW337.85 g/mol
LogP1.91
Rot. Bonds5

About (3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one

(3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 139922171) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one
PubChem CID139922171
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESCOCN1CCN(C[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1
InChIInChI=1S/C17H24ClN3O2/c1-23-13-20-10-8-19(9-11-20)12-14-6-7-21(17(14)22)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3/t14-/m1/s1
InChIKeyGPPJZBFIAHHNGN-CQSZACIVSA-N
XLogP1.91
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one (CID 139922171) is (3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one is COCN1CCN(C[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is GPPJZBFIAHHNGN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-23-13-20-10-8-19(9-11-20)12-14-6-7-21(17(14)22)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
(3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 337.85 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 139922171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).