methyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate

C24H44N4O4 — CID 19071085

IUPACmethyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(CCCCC3CCN(C(C)(C)C)CC3)C(=O)O2)CC1
InChIInChI=1S/C24H44N4O4/c1-24(2,3)28-11-8-20(9-12-28)7-5-6-10-27-18-21(32-23(27)30)17-25-13-15-26(16-14-25)19-22(29)31-4/h20-21H,5-19H2,1-4H3
InChIKeyLSAZBLROJDVLAP-UHFFFAOYSA-N
MW452.64 g/mol
LogP2.28
Rot. Bonds9

About methyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate

methyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (PubChem CID 19071085) has the molecular formula C24H44N4O4 and a molecular weight of 452.64 g/mol. Its IUPAC name is methyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
PubChem CID19071085
Molecular FormulaC24H44N4O4
Molecular Weight452.64 g/mol
Exact Mass452.34
IUPAC Namemethyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(CCCCC3CCN(C(C)(C)C)CC3)C(=O)O2)CC1
InChIInChI=1S/C24H44N4O4/c1-24(2,3)28-11-8-20(9-12-28)7-5-6-10-27-18-21(32-23(27)30)17-25-13-15-26(16-14-25)19-22(29)31-4/h20-21H,5-19H2,1-4H3
InChIKeyLSAZBLROJDVLAP-UHFFFAOYSA-N
XLogP2.28
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.64
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate 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
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-[4-(1-Tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid
CID 19071026
Methyl 2-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 19071037
2-[4-[[2-Oxo-3-(1-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
CID 19071083
Methyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 19071098
Methyl 4-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate
CID 19071099
Methyl 3-[4-[[3-[4-(1-cyclopropylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
CID 19071117
Methyl 3-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
CID 19071127

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (CID 19071085) is methyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(CC2CN(CCCCC3CCN(C(C)(C)C)CC3)C(=O)O2)CC1.
What is the InChIKey of methyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The InChIKey is LSAZBLROJDVLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N4O4/c1-24(2,3)28-11-8-20(9-12-28)7-5-6-10-27-18-21(32-23(27)30)17-25-13-15-26(16-14-25)19-22(29)31-4/h20-21H,5-19H2,1-4H3.
What are the key properties of methyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
methyl 2-[4-[[3-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate has a molecular weight of 452.64 g/mol, XLogP of 2.28, 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-[4-(1-tert-butylpiperidin-4-yl)butyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 19071085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).