methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate

C17H30N4O4 — CID 67654148

IUPACmethyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C2CN(C)C(=O)O2)CC1C1CCNCC1
InChIInChI=1S/C17H30N4O4/c1-19-12-15(25-17(19)23)21-10-9-20(8-5-16(22)24-2)14(11-21)13-3-6-18-7-4-13/h13-15,18H,3-12H2,1-2H3
InChIKeyOSVAOSZGDDSXQI-UHFFFAOYSA-N
MW354.45 g/mol
LogP-0.06
Rot. Bonds5

About methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate

methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate (PubChem CID 67654148) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate
PubChem CID67654148
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Namemethyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C2CN(C)C(=O)O2)CC1C1CCNCC1
InChIInChI=1S/C17H30N4O4/c1-19-12-15(25-17(19)23)21-10-9-20(8-5-16(22)24-2)14(11-21)13-3-6-18-7-4-13/h13-15,18H,3-12H2,1-2H3
InChIKeyOSVAOSZGDDSXQI-UHFFFAOYSA-N
XLogP-0.06
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate with MolForge

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Related Compounds

3-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70780104
3-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-8-(3-piperidinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70782635
8-beta-Alanyl-3-[2-(4-isopropyl-1-piperazinyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70714820
3-[4-[(2-Oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoic acid
CID 9819320
Methyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate
CID 15340898
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
3-[4-[[2-Oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid
CID 19071226
Methyl 3-[4-[[3-[(1-tert-butylpiperidin-4-yl)methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
CID 22377774
Methyl 3-[4-[[3-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
CID 22377800
N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide
CID 59959651
Methyl 3-[4-[3-methyl-3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-3-ium-5-yl]piperazin-1-yl]propanoate
CID 67652844
Methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
CID 67652845

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate (CID 67654148) is methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate is COC(=O)CCN1CCN(C2CN(C)C(=O)O2)CC1C1CCNCC1.
What is the InChIKey of methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate?
The InChIKey is OSVAOSZGDDSXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-19-12-15(25-17(19)23)21-10-9-20(8-5-16(22)24-2)14(11-21)13-3-6-18-7-4-13/h13-15,18H,3-12H2,1-2H3.
What are the key properties of methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate?
methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate has a molecular weight of 354.45 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate is sourced from PubChem (CID 67654148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).