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

C24H42N4O4 — CID 19071172

IUPACmethyl 2-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(CCCC3CCN(C4CCCC4)CC3)C(=O)O2)CC1
InChIInChI=1S/C24H42N4O4/c1-31-23(29)19-26-15-13-25(14-16-26)17-22-18-28(24(30)32-22)10-4-5-20-8-11-27(12-9-20)21-6-2-3-7-21/h20-22H,2-19H2,1H3
InChIKeyYAZQXWSUZMDRCP-UHFFFAOYSA-N
MW450.62 g/mol
LogP2.03
Rot. Bonds9

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

methyl 2-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (PubChem CID 19071172) has the molecular formula C24H42N4O4 and a molecular weight of 450.62 g/mol. Its IUPAC name is methyl 2-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
PubChem CID19071172
Molecular FormulaC24H42N4O4
Molecular Weight450.62 g/mol
Exact Mass450.32
IUPAC Namemethyl 2-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(CCCC3CCN(C4CCCC4)CC3)C(=O)O2)CC1
InChIInChI=1S/C24H42N4O4/c1-31-23(29)19-26-15-13-25(14-16-26)17-22-18-28(24(30)32-22)10-4-5-20-8-11-27(12-9-20)21-6-2-3-7-21/h20-22H,2-19H2,1H3
InChIKeyYAZQXWSUZMDRCP-UHFFFAOYSA-N
XLogP2.03
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.62
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (CID 19071172) is methyl 2-[4-[[3-[3-(1-cyclopentylpiperidin-4-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-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(CC2CN(CCCC3CCN(C4CCCC4)CC3)C(=O)O2)CC1.
What is the InChIKey of methyl 2-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The InChIKey is YAZQXWSUZMDRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O4/c1-31-23(29)19-26-15-13-25(14-16-26)17-22-18-28(24(30)32-22)10-4-5-20-8-11-27(12-9-20)21-6-2-3-7-21/h20-22H,2-19H2,1H3.
What are the key properties of methyl 2-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
methyl 2-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate has a molecular weight of 450.62 g/mol, XLogP of 2.03, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 19071172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).