methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate

C25H39N5O4 — CID 19071221

IUPACmethyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(CCCN3CCN(Cc4ccccc4)CC3)C(=O)O2)CC1
InChIInChI=1S/C25H39N5O4/c1-33-24(31)21-29-16-14-28(15-17-29)19-23-20-30(25(32)34-23)9-5-8-26-10-12-27(13-11-26)18-22-6-3-2-4-7-22/h2-4,6-7,23H,5,8-21H2,1H3
InChIKeyLETMWLKBTMIZBX-UHFFFAOYSA-N
MW473.62 g/mol
LogP0.81
Rot. Bonds10

About methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate

methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (PubChem CID 19071221) has the molecular formula C25H39N5O4 and a molecular weight of 473.62 g/mol. Its IUPAC name is methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
PubChem CID19071221
Molecular FormulaC25H39N5O4
Molecular Weight473.62 g/mol
Exact Mass473.30
IUPAC Namemethyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(CCCN3CCN(Cc4ccccc4)CC3)C(=O)O2)CC1
InChIInChI=1S/C25H39N5O4/c1-33-24(31)21-29-16-14-28(15-17-29)19-23-20-30(25(32)34-23)9-5-8-26-10-12-27(13-11-26)18-22-6-3-2-4-7-22/h2-4,6-7,23H,5,8-21H2,1H3
InChIKeyLETMWLKBTMIZBX-UHFFFAOYSA-N
XLogP0.81
TPSA68.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[4-[[3-[3-(1-benzylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
CID 19071021
methyl 3-[4-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
CID 19071171
2-[4-[[3-[3-(1-benzylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
CID 19071029
methyl 4-[4-[[3-(1-benzylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate
CID 19071285
tert-butyl 2-carbamimidoyl-4-[3-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]propyl]piperazine-1-carboxylate
CID 19071246
dibenzyl 2-[4-[[3-[(1-benzylpiperidin-4-yl)methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanedioate
CID 22378418
2-[4-[3-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-2-oxo-1,3-oxazolidin-5-yl]piperazin-1-yl]acetic acid
CID 70053190
benzyl 2-[4-[[(2R)-oxiran-2-yl]methyl]piperazin-1-yl]acetate
CID 167020418
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one
CID 2793780
methyl 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzoate
CID 5009939
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (CID 19071221) is methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(CC2CN(CCCN3CCN(Cc4ccccc4)CC3)C(=O)O2)CC1.
What is the InChIKey of methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The InChIKey is LETMWLKBTMIZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O4/c1-33-24(31)21-29-16-14-28(15-17-29)19-23-20-30(25(32)34-23)9-5-8-26-10-12-27(13-11-26)18-22-6-3-2-4-7-22/h2-4,6-7,23H,5,8-21H2,1H3.
What are the key properties of methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate has a molecular weight of 473.62 g/mol, XLogP of 0.81, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 19071221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).