2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid

C23H40N4O4 — CID 19071154

IUPAC2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC2CN(CCC3CCN(C4CCCCC4)CC3)C(=O)O2)CC1
InChIInChI=1S/C23H40N4O4/c28-22(29)18-25-14-12-24(13-15-25)16-21-17-27(23(30)31-21)11-8-19-6-9-26(10-7-19)20-4-2-1-3-5-20/h19-21H,1-18H2,(H,28,29)
InChIKeyUZOUXTABJGPWLG-UHFFFAOYSA-N
MW436.60 g/mol
LogP1.94
Rot. Bonds8

About 2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid

2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid (PubChem CID 19071154) has the molecular formula C23H40N4O4 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
PubChem CID19071154
Molecular FormulaC23H40N4O4
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC Name2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC2CN(CCC3CCN(C4CCCCC4)CC3)C(=O)O2)CC1
InChIInChI=1S/C23H40N4O4/c28-22(29)18-25-14-12-24(13-15-25)16-21-17-27(23(30)31-21)11-8-19-6-9-26(10-7-19)20-4-2-1-3-5-20/h19-21H,1-18H2,(H,28,29)
InChIKeyUZOUXTABJGPWLG-UHFFFAOYSA-N
XLogP1.94
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid with MolForge

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Related Compounds

3-(1-BOC-4-piperidyl)-5-[4-(methoxycarbonylmethyl)piperazino]methyloxazolidin-2-one
CID 15340897
Methyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 19071006
Methyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 19071008
2-[4-[[3-[4-(4-Cyclohexylpiperazin-1-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
CID 19071010
Methyl 2-[4-[[3-[3-(1-methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 19071015
2-[4-[[3-[3-(1-Methylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
CID 19071024
3-[4-[[3-[2-(1-Cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid
CID 19071036
Methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 19071037
4-[4-[[2-Oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoic acid
CID 19071059
3-[4-[[2-Oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid
CID 19071077
4-[4-[[3-[4-(4-Cyclohexylpiperazin-1-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoic acid
CID 19071080
2-[4-[[2-Oxo-3-(1-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
CID 19071083

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid (CID 19071154) is 2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(CC2CN(CCC3CCN(C4CCCCC4)CC3)C(=O)O2)CC1.
What is the InChIKey of 2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
The InChIKey is UZOUXTABJGPWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O4/c28-22(29)18-25-14-12-24(13-15-25)16-21-17-27(23(30)31-21)11-8-19-6-9-26(10-7-19)20-4-2-1-3-5-20/h19-21H,1-18H2,(H,28,29).
What are the key properties of 2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid has a molecular weight of 436.60 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 19071154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).