(5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one

C19H29N3O4 — CID 67945812

IUPAC(5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CCN(C[C@@H]3CCC(=O)N3)CC2)c(OC)c1OC
InChIInChI=1S/C19H29N3O4/c1-24-16-6-4-14(18(25-2)19(16)26-3)12-21-8-10-22(11-9-21)13-15-5-7-17(23)20-15/h4,6,15H,5,7-13H2,1-3H3,(H,20,23)/t15-/m0/s1
InChIKeyDPNPQILQVQGBRI-HNNXBMFYSA-N
MW363.46 g/mol
LogP1.11
Rot. Bonds7

About (5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one

(5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 67945812) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is (5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one
PubChem CID67945812
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name(5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CCN(C[C@@H]3CCC(=O)N3)CC2)c(OC)c1OC
InChIInChI=1S/C19H29N3O4/c1-24-16-6-4-14(18(25-2)19(16)26-3)12-21-8-10-22(11-9-21)13-15-5-7-17(23)20-15/h4,6,15H,5,7-13H2,1-3H3,(H,20,23)/t15-/m0/s1
InChIKeyDPNPQILQVQGBRI-HNNXBMFYSA-N
XLogP1.11
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one (CID 67945812) is (5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one is COc1ccc(CN2CCN(C[C@@H]3CCC(=O)N3)CC2)c(OC)c1OC.
What is the InChIKey of (5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is DPNPQILQVQGBRI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-24-16-6-4-14(18(25-2)19(16)26-3)12-21-8-10-22(11-9-21)13-15-5-7-17(23)20-15/h4,6,15H,5,7-13H2,1-3H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one?
(5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 363.46 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 67945812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).