methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate

C20H36N4O4 — CID 22377784

IUPACmethyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CC2CN(C3CCN(C(C)C)CC3)C(=O)O2)CC1
InChIInChI=1S/C20H36N4O4/c1-16(2)23-8-4-17(5-9-23)24-15-18(28-20(24)26)14-22-12-10-21(11-13-22)7-6-19(25)27-3/h16-18H,4-15H2,1-3H3
InChIKeyWUDAKWWXZUTSKT-UHFFFAOYSA-N
MW396.53 g/mol
LogP0.86
Rot. Bonds7

About methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate

methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate (PubChem CID 22377784) has the molecular formula C20H36N4O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
PubChem CID22377784
Molecular FormulaC20H36N4O4
Molecular Weight396.53 g/mol
Exact Mass396.27
IUPAC Namemethyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CC2CN(C3CCN(C(C)C)CC3)C(=O)O2)CC1
InChIInChI=1S/C20H36N4O4/c1-16(2)23-8-4-17(5-9-23)24-15-18(28-20(24)26)14-22-12-10-21(11-13-22)7-6-19(25)27-3/h16-18H,4-15H2,1-3H3
InChIKeyWUDAKWWXZUTSKT-UHFFFAOYSA-N
XLogP0.86
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 4-{1-[3-(2-isoxazolidinyl)propanoyl]-3-piperidinyl}-1-piperazinecarboxylate
CID 45190419
3-[4-[(2-Oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoic acid
CID 9819320
3-(1-BOC-4-piperidyl)-5-[4-(2-methoxycarbonylethyl)piperazino]methyloxazolidin-2-one
CID 15340895
3-(1-BOC-4-piperidyl)-5-[4-(methoxycarbonylmethyl)piperazino]methyloxazolidin-2-one
CID 15340897
Methyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate
CID 15340898
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 4-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate
CID 19071012
Methyl 4-[4-[[3-[3-(4-ethylpiperazin-1-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate
CID 19071017
Methyl 4-[4-[[2-oxo-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate
CID 19071030
Methyl 4-[4-[[2-oxo-3-[4-(4-propylpiperazin-1-yl)butyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate
CID 19071034

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate (CID 22377784) is methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate is COC(=O)CCN1CCN(CC2CN(C3CCN(C(C)C)CC3)C(=O)O2)CC1.
What is the InChIKey of methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate?
The InChIKey is WUDAKWWXZUTSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O4/c1-16(2)23-8-4-17(5-9-23)24-15-18(28-20(24)26)14-22-12-10-21(11-13-22)7-6-19(25)27-3/h16-18H,4-15H2,1-3H3.
What are the key properties of methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate?
methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate has a molecular weight of 396.53 g/mol, XLogP of 0.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 22377784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).